3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione
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![3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/10debbc11f4346b39091da5a68d206fe.png "3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione")
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione
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CAS No:
1211565-07-9
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Formula:
C20H21F6N3O2
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Chemical Name:
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione
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Synonyms:
3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione;CHEMBL3797272;CS-16183;CS-0092939;3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(dimethylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione;3-[3,5-Bis(trifluoromethyl)anilino]-4-[[2alpha-(dimethylamino)cyclohexane-1beta-yl]amino]-3-cyclobutene-1,2-dione
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CAS No:
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione Basic Attributes
449.3900592
449.154
Characteristics
61.4
4.7
1.40±0.1 g/cm3(Predicted)
196-198 °C (decomp)(Solv: isopropanol (67-63-0); water (7732-18-5))
434.5±55.0 °C(Predicted)
Computed Properties
Molecular Weight:449.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:449.15379589
Monoisotopic Mass:449.15379589
Topological Polar Surface Area:61.4
Heavy Atom Count:31
Complexity:724
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione
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