4,4'-(6-chloropyriMidine-2,4-diyl)diMorpholine

The morpholine (12.6 ml, 144mmol) dissolved in toluene (22 ml) and water (8.8 ml), then added 2, 4, 6-trichloro-pyrimidine (4.4g, 24mmol) dissolved in toluene (22 ml) , and slowly dropped at room temperature to the above-mentioned mixed solution and heated to 83 °C, stirred for 3 hours. cooling, separation, the organic phase using hydrochloric acid (10mol/L) washing, anhydrous sodium sulfate for drying, the crude product by silica gel column chromatography (petroleum ether: ethyl acetate = 1:1) purification, to obtain the title compound (6.68g, yield 98percent).The morpholine (12.6 ml, 144mmol) dissolved in toluene (22 ml) and water (8.8 ml) in the mixed solvent, weighing 2, 4, 6-trichloro-pyrimidine (4.4g, 24mmol) dissolved in toluene (22 ml) in, slowly dropped at room temperature to the above-mentioned mixed solution is, after feeding the heated to 83 °C, stirring for 3 hours, cooling, separation, the organic phase using hydrochloric acid (10mol/L) washing, anhydrous sodium sulfate for drying, the crude product by silica gel column chromatography (petroleum ether: ethyl acetate = 1:1) purification, to obtain the title compound (6.68g, yield 98percent).Example 1 Preparation of Compound 4 (0033) Added compound 2 (18.3 g, 0.10 mol), TEA (200 ml) and CH4, 4'-(6-Chloropyrimidine-2, 4-diyl)di[morpholine] (3); U 2011/05380863Prepare a solution of 22 g (0.12 mol) of 2, 4, 6-trichloropyrimidine 1 , in 95.2 g (110 mL) of toluene and charge it to the 25 mL addition funnel. Charge a nitrogen-flushed 500 mL round bottom 4- neck flask that equipped with a condenser, heating mantle, thermocouple, 125 mL addition funnel, mechanical stirrer and nitrogen inlet / outlet with 62.7 g (63 mL, 0.72 mol) of morpholine 2, 95.2 g (110 mL) of toluene and 44 g (44 mL) of water. Add the toluene solution of 1 over 10 minutes. Heat the reaction mixture to 83 +/- 3 °C. Stir at 83 +/- 3 °C for 2 h. Check the progress of the reaction. Cool to 30 + 3 °C. Transfer the 2-phase mixture to a 1L separatory funnel.Separate the phases. Wash the organic phase (top) twice with 200 mL (2 x 100 mL) of warm (30 °C) water. Separate the phases after each wash. Transfer the organic (top) phase back to the 500 mL reaction flask that equipped with a condenser, heating mantle, thermocouple, 125 mL addition funnel, mechanical stirrer and nitrogen inlet / outlet. Stir and add 50.0 mL of 10.0 N aqueous hydrochloric acid solution. Heat the solution to 53 +/- 3 °C and stir for 12 - 18 h. Check the progress of the reaction. Cool to 22 + 3 °C. Transfer the 2-phase mixture to a 1 L separatory funnel. Separate the phases. Transfer the aqueous (bottom) phase to a 500 mL round bottom 4-neck flask equipped with a cooling bath, thermocouple, addition funnel, pH probe, mechanical stirrer and nitrogen inlet / outlet. Stir and cool to 0 +/- 3 °C. Add 85.0 g of 25percent aqueous sodium hydroxide solution by drops over 30 minutes, maintaining a batch temperature of 10 +/- 10 °C throughout the addition. Warm to 20 +/- 3 °C and stir for 30 minutes. Isolate the solids by vacuum filtration. Wash the cake with 3 x 100 mL of water. Dry the solids (55°C, 30 mbar) for 24 hours to afford 30.9 g (91.9percent yield) of 3 as a white crystalline solid.To the solution of compound 6a (10 mmol) and EtSynthesis method: 4-(2, 6-dichloropyrimidin-4-yl)morpholine (5.0 g, 21.46 mmol) synthesized in Step 1 was dissolved in THF/EtOH (50 mL).Add morpholine(1.87g, 21.46mmol), TEA (2.60g, 25.75mmol) and NaI (4.39g, 23.61mmol), The reaction was then warmed to 65 ° C for 12 h.After the TLC reaction was completed, the solvent was evaporated, evaporated, evaporated, evaporated, evaporated, evaporated, evaporated.The solvent was evaporated under reduced pressure to give a crude product.Column chromatography purification (PE / EtOAc = 5 / 1)Obtaining an intermediate white solid 3.93 g, Yield: 64.50percent;2, 4, 6-trichloropyrimidine (11, 2 g, 61 mmol, 1 eq), N, N-diisopropylethylamine (23.3 mL, 134.2 mmol, 2.2 eq) and morpholine (11.7 mL, 134.2 mmol, 2.2 eq)were charged in aflask and dissolved in ethanol (120 mL). The flask was equipped with a refluxed condenser and placed in an oil bath preheated at 100°C. The reaction mixture was stirred at this temperature for 18 h. After this time, the reaction mixture was cooled down to r.t. and volatiles were removed under reduced pressure using a rotary evaporator. The resulting mixture was dissolved in dichloromethane (100 mL) and washed twice with anaqueous solution of NaHSO4 (2 x 80 mL). The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure using a rotary evaporator. Products Al and A2 were isolated by flash chromatography on silica gel using first a 3:1 mixture of cyclohexane and ethyl acetate and then a 1:1 mixture of cyclohexane and ethyl acetate as eluent. The product fractions were pooled and evaporated to yield Alas a white powder (13.8 g, 80percent) and A2 as a white powder (2.2 g, 13percent yield).2, 4, 6-Trichloropyrimidine (Manchester Organics, product number Y17832, 1 1.2 g, 61 mmol, 1.0 eq.), A/, /V-diisopropylethylamine (23.3 mL, 134.2 mmol, 2.2 eq.) and morpholine (1 1 .7 mL, 134.2 mmol, 2.2 eq.) are charged in a flask and dissolved in ethanol (120 mL). The flask is equipped with a refluxed condenser and placed in an oil bath preheated at 100 °C. The reaction mixture is stirred at this temperature for 18 hours. After this time, the reaction mixture is cooled down to room temperature and volatiles are removed under reduced pressure. The resulting mixture is dissolved in dichloromethane (100 mL) and washed twice with an aqueous solution of sodium bisulfate (2 x 80 mL). The organic layer is dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure using a rotary evaporator. Products i22 and i23 are isolated by flash chromatography on silica gel (cyclohexane / ethyl acetate 3:1 -> 1 :1 ). The product fractions are pooled and evaporated to yield i22 as a colorless powder (13.8 g, 80percent) and i23 as a colorless powder (2.2 g, 13percent yield). 4, 4'-(6-chloropyrimidine-2, 4-diyl)dimorpholine (i22): i22 i23 2, 4, 6-Trichloropyrimidine (Manchester Organics, product number Y17832, 1 1.2 g, 61 mmol, 1.0 eq.), N, N-diisopropylethylamine (23.3 mL, 134.2 mmol, 2.2 eq.) and morpholine (1 1.7 mL, 134.2 mmol, 2.2 eq.) are charged in a flask and dissolved in ethanol (120 mL). The flask is equipped with a refluxed condenser and placed in an oil bath preheated at 100 °C. The reaction mixture is stirred at this temperature for 18 hours. After this time, the reaction mixture is cooled down to room temperature and volatiles are removed under reduced pressure. The resulting mixture is dissolved in dichloromethane (100 mL) and washed twice with an aqueous solution of sodium bisulfate (2 x 80 mL). The organic layer is dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure using a rotary evaporator. Products i22 and i23 are isolated by flash chromatography on silica gel (cyclohexane / ethyl acetate 3 : 1 to 1 : 1). The product fractions are pooled and evaporated to yield i22 as a colorless powder (13.8 g, 80percent) and i23 as a colorless powder (2.2 g, 13percent yield). 4, 4'-(6-chloropyrimidine-2, 4-diyl)dimorpholine (i22): 1H NMR (400 MHz, CDC12, 4, 6-Trichioropyrimidine (Manchester Organics, product number Y17832, 11.2 g, mmol, 1.0 eq.), N, N-diisopropylethylamine (23.3 mL, 134.2 mmol, 2.2 eq.) and morpholine (11.7 mL, 134.2 mmol, 2.2 eq.) are charged in a flask and dissolved in ethanol (120 mL). The flask is equipped with a refluxed condenser and placed in an oil bath preheated100 °C. The reaction mixture is stirred at this temperature for 18 hours. After this time, the reaction mixture is cooled down to room temperature and volatiles are removed underreduced pressure. The resulting mixture is dissolved in dichloromethane (100 mL) and washed twice with an aqueous solution of sodium bisulfate (2 x 80 mL). The organic layer is dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure using a rotary evaporator. Products 122 and 123 are isolated by flash chromatography on silica gel (cyclohexane / ethyl acetate 3:1 to 1:1). The product fractions are pooled and evaporated toyield 122 as a colorless powder (13.8 g, 80percent) and 123 as a colorless powder (2.2 g, 13percent yield).4, 4’-(6-chloropyrimidine-2, 4-diyl)dimorpholine (122): ‘H NMR (400 MHz, CDC13): ö 5.85 (s, H), 3.7 1-3.75 (m, 12 H), 3.52-3.55 (m, 4 H); MS (MALDI): m/z: 285.4 ([M+H]j.4, 4’-(2-chloropyrimidine-4, 6-diyl)dimorpholine (123): ‘H NMR (400 MHz, CDC13): ö 5.38 (s, H), 3.73-3.76 (m, 8 H), 3.52-3.54 (m, 8 H); MS (MALDI): m/z: 285.2 ([M+H]j.A solution of ιηοφηοηβ (100 g; 1.15 moles; 5.3 equivalents) in THF (450 mL) was cooled with an ice bath. A solution of 2, 4, 6-trichloropyrimidine (39.9 g; 217 mmoles; 1.0 equivalents) in THF (100 mL) was added over a period of 30 minutes. A copious white precipitate formed upon addition of 2, 4, 6-trichloropyrimidine and the reaction mixture rapidly thickened. The mixture was allowed to warm to ambient temperature and mechanically stirred for 64 hours (heating the reaction mixture at reflux following the addition of 2, 4, 6-trichloropyrimidine leads to complete reaction in 60 min. The ratio of a to b was unchanged). The mixture was then filtered and the filter cake washed with additional THF (2 x 100 mL). The filtrate was concentrated on the rotavap. Water (600 mL) was added and the resulting slurry was stirred for 30 minutes. The solids were isolated by filtration, washed with additional water (2 x 100 mL) and dried overnight under vacuum. Yield a + b: 61.3 g (99percent). Product was 87percent a by hplc area percent; remainder is b.[00128] 31 g of the crude solid was dissolved in 200 mL of CH2CI2 and applied to 600 g of dry silica in a fritted glass funnel. The silica was eluted with 1 : 1 hexane : EtOAc and 300 mL fractions were collected. TLC analysis shows a to be present in fractions 1 -7 and 4, 6- dimo holino-2-chloropyrimidine in fractions 6-10. Fractions 1-5 were pooled and concentrated to provide a white solid. Yield: 28.2 g (Product was 98percent a by hplc area percent).0388] To a slurry of 2-moφholino-4, 6-dichloropyrimidine (prepared as inMethod 22, 2.0 g, 8.54 mmol) in NMP (14 mL), triethylamine (1.43 mL, 10.25 mmol) was added. The heterogeneous mixture was stirred for 15 minutes, then treated with morpholine (0.75 mL, 8.54 mmol). Upon refluxing at 85 To a slurry of 2-mo holino-4, 6-dichloropyτimidine (prepared as in Method 22, 2.0 g, 8.54 mmol) in NMP (14 mL), triethylamine (1.43 mL, 10.25 mmol) was added. The heterogeneous mixture was stirred for 15 minutes, then treated with ηιοφιοηβ (0.75 mL, 8.54 mmol). Upon refluxing at 85 °C under argon for 2 hours, the solution was cooled, then added to EtOAc (160 mL). The organic solution was washed with 25 mL of NaHC0Method 1; Preparation of 2, 4-dimorpholino-6-chloropyrimidine; [0234] To a dry round bottom flask was added 2, 4, 6-trichloropyrimidine (5 g, 27 mmol) and EtOH (200 mL), followed by DIEA (16 mL, 82 mmol) at 0 A solution of 40 g of 2, 4-[bis-morpholino]-6-chloropyrimidine and 34 g of piperazine in 60 g of pyridine is heated at 100 for 24 h. The mixture is partitioned between methylene chloride and aqueous potassium carbonate. The organic phase is filtered through sodium sulfate and concentrated. The residue is chromatographed (methylene chloride to 4% methanol/1% ammonium hydroxide/methylene chloride) to give the title compound, NMR (CDCl3) 2.90, 3.50, 3.75, 3.80 and 5.10 delta.A solution of 40 g of 2, 4-[bis-morpholino]-6-chloropyrimidine and 34 g of piperazine in 60 g of pyridine is heated at 100 for 24 h. The mixture is partitioned between methylene chloride and aqueous potassium carbonate. The organic phase is filtered through sodium sulfate and concentrated. The residue is chromatographed (methylene chloride to 4% methanol/1% ammonium hydroxide/methylene chloride) to give the title compound, NMR (CDCl3) 2.90, 3.50, 3.75, 3.80 and 5.10 delta.A solution of 40 g of 2, 4-[bis-morpholino]-6-chloropyrimidine and 34 g of piperazine in 60 g of pyridine is heated at 100 for 24 h. The mixture is partitioned between methylene chloride and aqueous potassium carbonate. The organic phase is filtered through sodium sulfate and concentrated. The residue is chromatographed (methylene chloride to 4% methanol/1% ammonium hydroxide/methylene chloride) to give the title compound, NMR (CDCl3) 2.90, 3.50, 3.75, 3.80 and 5.10 delta.A solution of 40 g of 2, 4-[bis-morpholino]-6-chloropyrimidine and 34 g of piperazine in 60 g of pyridine is heated at 100 for 24 h. The mixture is partitioned between methylene chloride and aqueous potassium carbonate. The organic phase is filtered through sodium sulfate and concentrated. The residue is chromatographed (methylene chloride to 4% methanol/1% ammonium hydroxide/methylene chloride) to give the title compound, NMR (CDCl3) 2.90, 3.50, 3.75, 3.80 and 5.10 delta.The morpholine (12.6 ml, 144mmol) dissolved in toluene (22 ml) and water (8.8 ml), then added 2, 4, 6-trichloro-pyrimidine (4.4g, 24mmol) dissolved in toluene (22 ml) , and slowly dropped at room temperature to the above-mentioned mixed solution and heated to 83 C, stirred for 3 hours. cooling, separation, the organic phase using hydrochloric acid (10mol/L) washing, anhydrous sodium sulfate for drying, the crude product by silica gel column chromatography (petroleum ether: ethyl acetate = 1:1) purification, to obtain the title compound (6.68g, yield 98%).The morpholine (12.6 ml, 144mmol) dissolved in toluene (22 ml) and water (8.8 ml) in the mixed solvent, weighing 2, 4, 6-trichloro-pyrimidine (4.4g, 24mmol) dissolved in toluene (22 ml) in, slowly dropped at room temperature to the above-mentioned mixed solution is, after feeding the heated to 83 C, stirring for 3 hours, cooling, separation, the organic phase using hydrochloric acid (10mol/L) washing, anhydrous sodium sulfate for drying, the crude product by silica gel column chromatography (petroleum ether: ethyl acetate = 1:1) purification, to obtain the title compound (6.68g, yield 98%).Preparation of Compound 4 (0033) Added compound 2 (18.3 g, 0.10 mol), TEA (200 ml) and CH2Cl2 (200 ml) into a first reactor, and lowered the temperature to -5 C. Then, dripped the first CH2Cl2 solution of morpholine (9.57 g, 0.11 mol) slowly (?30 min) into the first reactor, kept the reaction at room temperature for 2 hours. Then lowered the temperature to -5 C., dripped the second CH2Cl2 solution of morpholine (8.7 g, 0.10 mol) slowly (?30 min) into the first reactor, kept the reaction at room temperature for 3 hours. Washed the reaction solution by saturated salt water for 2 times, dried over Na2SO4, and concentrated to obtain compound 4 (26.2 g, yield 92%). NMR Spectrum: (DMSOd6) 3.58-3.77 (m, 16H), 6.73 (s, 1H); Mass Spectrum: M+H+ 285.4, 4'-(6-Chloropyrimidine-2, 4-diyl)di[morpholine] (3); U 2011/05380863Prepare a solution of 22 g (0.12 mol) of 2, 4, 6-trichloropyrimidine 1 , in 95.2 g (110 mL) of toluene and charge it to the 25 mL addition funnel. Charge a nitrogen-flushed 500 mL round bottom 4- neck flask that equipped with a condenser, heating mantle, thermocouple, 125 mL addition funnel, mechanical stirrer and nitrogen inlet / outlet with 62.7 g (63 mL, 0.72 mol) of morpholine 2, 95.2 g (110 mL) of toluene and 44 g (44 mL) of water. Add the toluene solution of 1 over 10 minutes. Heat the reaction mixture to 83 +/- 3 C. Stir at 83 +/- 3 C for 2 h. Check the progress of the reaction. Cool to 30 + 3 C. Transfer the 2-phase mixture to a 1L separatory funnel.Separate the phases. Wash the organic phase (top) twice with 200 mL (2 x 100 mL) of warm (30 C) water. Separate the phases after each wash. Transfer the organic (top) phase back to the 500 mL reaction flask that equipped with a condenser, heating mantle, thermocouple, 125 mL addition funnel, mechanical stirrer and nitrogen inlet / outlet. Stir and add 50.0 mL of 10.0 N aqueous hydrochloric acid solution. Heat the solution to 53 +/- 3 C and stir for 12 - 18 h. Check the progress of the reaction. Cool to 22 + 3 C. Transfer the 2-phase mixture to a 1 L separatory funnel. Separate the phases. Transfer the aqueous (bottom) phase to a 500 mL round bottom 4-neck flask equipped with a cooling bath, thermocouple, addition funnel, pH probe, mechanical stirrer and nitrogen inlet / outlet. Stir and cool to 0 +/- 3 C. Add 85.0 g of 25% aqueous sodium hydroxide solution by drops over 30 minutes, maintaining a batch temperature of 10 +/- 10 C throughout the addition. Warm to 20 +/- 3 C and stir for 30 minutes. Isolate the solids by vacuum filtration. Wash the cake with 3 x 100 mL of water. Dry the solids (55C, 30 mbar) for 24 hours to afford 30.9 g (91.9% yield) of 3 as a white crystalline solid.To the solution of compound 6a (10 mmol) and Et3N (24 mmol) in EtOH (50 mL), morpholine (20 mmol) was added dropwise at 0 C. The mixture was stirred at room temperature for 24 h and a white solid was precipitated. Concentrated the reaction mixture to remove EtOH. The residue was dissolved in CH2Cl2, washed with water and brine. The organic layer was concentrated to give the residue, which was purified using flash chromatography (petroleum ether/EtOAc, 7:1) to yield a white solid, yield 78%. 1H NMR (400 MHz, Chloroform-d) delta 5.87 (s, 1H), 3.96-3.18 (m, 16H). 13C NMR (101 MHz, CDCl3) delta 163.54, 160.88, 160.60, 91.19, 66.84 (2CH2), 66.51 (2CH2), 44.44 (2CH2), 44.37 (2CH2).PREPARATION A-23 4-[2, 6-Bis(morpholino)-4-pyrimidinyl]piperazine A solution of 160 g of morpholine in 1000 ml of methylene chloride is treated dropwise with 100 g of 2, 4, 6-trichloropyrimidine. The reaction is immersed in an ice water bath. After 1 h, 300 ml of pyridine is added. The reaction is stirred for two days and concentrated. The residue is partitioned between methylene chloride and aqueous sodium bicarbonate. The residue is chromatographed on silica gel (10% ethyl acetate/hexane to 25% to methylene chloride) to give PREPARATION A-23 4-[2, 6-Bis(morpholino)-4-pyrimidinyl]piperazine A solution of 160 g of morpholine in 1000 ml of methylene chloride is treated dropwise with 100 g of 2, 4, 6-trichloropyrimidine. The reaction is immersed in an ice water bath. After 1 h, 300 ml of pyridine is added. The reaction is stirred for two days and concentrated. The residue is partitioned between methylene chloride and aqueous sodium bicarbonate. The residue is chromatographed on silica gel (10% ethyl acetate/hexane to 25% to methylene chloride) to give PREPARATION A-23 4-[2, 6-Bis(morpholino)-4-pyrimidinyl]piperazine A solution of 160 g of morpholine in 1000 ml of methylene chloride is treated dropwise with 100 g of 2, 4, 6-trichloropyrimidine. The reaction is immersed in an ice water bath. After 1 h, 300 ml of pyridine is added. The reaction is stirred for two days and concentrated. The residue is partitioned between methylene chloride and aqueous sodium bicarbonate. The residue is chromatographed on silica gel (10% ethyl acetate/hexane to 25% to methylene chloride) to give 2, 4-[bis-morpholino]-6-chloropyrimidine.Reference 2, 6-Di-morphoIin-4-yl-f4<5'lbipyrimidinvI-2'-ylamineTo a cold solution of 2, 4, 6-trichloropyrimidine (16g) in methanol (20OmL) was added morpholine (15.2ml). The reaction mixture was stirred for 24 hours and the solvent was then removed in vacuo. The residue was dissolved in dichloromethane, washed with water, dried (MgSO4) and the solvent removed in vacuo. The residue was purified using flash chromatography to yield 4-(6-chloro-2-morpholin-l-yl-pyrimidin-4- yl)-morpholine.Reaction of 4-(6-chloro-2-morpholin-l-yl-pyrimidin-4-yl)-morpholine with 2- aminopyrimidine-5-boronic acid, pinacol ester using standard Suzuki conditions yielded the desired title compound. 0353] 31 g of the crude solid was dissolved in 200 mL Of CH2Cl2 and applied to600 g of dry silica in a fritted glass funnel. The silica was eluted with 1 : 1 hexane : EtOAc and 300 mL fractions were collected. TLC analysis shows a to be present in fractions 1-7 and 4, 6-dimorpholino-2-chloropyrimidine in fractions 6-10. Fractions 1-5 were pooled and concentrated to provide a white solid. Yield: 28.2 g (Product was 98% a by hplc area percent).General procedure: 2, 4, 6-trichlorotriazine (1.84 g, 0.01 mol)Soluble in anhydrous acetone (10 mL), ice-salt bath cooled to -10 C, Morpholine (1.74 mL, 0.02 mol)And triethylamine (2.02 g, 0.02 mol)Of the mixed liquid droplets added to the reaction system, 0 C reaction 3h, room temperature reaction 3h.The mixture was poured into crushed ice, filtered, washed with water and dried to give 2.70 g of a white solid, 94.4% yieldSynthetic method: 6-chloro-2, 4-bismorpholinopyrimidine (3.50 g, 12.32 mmol) was dissolved in DME (50 mL).Pd(PPh3)4 (0.14 g, 0.12 mmol), 2.0 M Na2CO3 solution (7.50 mL) and 4-aminophenylboronic acid pinacol ester (4.05 g, 18.48 mmol) were sequentially added, and the reaction was refluxed for 24 h under N2 atmosphere.Evaporate the solvent under reduced pressure.The residue was dissolved in CH 2 Cl 2 (50 mL).Wash twice with water (50 mL × 2), wash once with saturated NaCl (30 mL), and dry over anhydrous Na 2 SO 4 .The solvent was evaporated under reduced pressure, and the residue was separated by column chromatography.Eluent: EA / PE = 1 / 1 to give the target product 3.15 g, yield: 75.20%.A mixture of compound 7a (5 mmol), 4-aminophenylboronic acid pinacol ester (10 mmol), Pd(Ph3P)4 (0.1 mmol), Na2CO3 (10 mmol) in 1, 4-dioxane/H2O (20 mL) was stirred at 110 C for 24 h under Ar. The reaction mixture was filtered through celite. The filtrate was concentrated in vacuo and then extracted with EtOAc. The organic layer was evaporated to give a residue, which was purified by chromatography (petroleum ether/EtOAc, 5:1) to give pure product as a yellow solid, yield 59%. 1H NMR (400 MHz, DMSO-d6) delta 7.84 (d, J = 8.3 Hz, 2H), 6.58 (d, J = 8.2 Hz, 2H), 6.47 (s, 1H), 5.48 (s, 2H), 3.74-3.51 (m, 16H). 13C NMR (101 MHz, DMSO) delta 164.08, 163.54, 161.58, 151.19, 128.38 (2CH), 125.59, 113.64 (2CH), 87.14, 66.70 (4CH2), 44.61 (4CH2).

Molecular Weight:284.74
XLogP3:1.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:284.1040035
Monoisotopic Mass:284.1040035
Topological Polar Surface Area:50.7
Heavy Atom Count:19
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes