2-[[4,4-dimethyl-8-(2-methylpropyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
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![2-[[4,4-dimethyl-8-(2-methylpropyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ed4b11e48f1d43e79256eb7fe6464617.png "2-[[4,4-dimethyl-8-(2-methylpropyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide")
2-[[4,4-dimethyl-8-(2-methylpropyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
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CAS No:
799802-61-2
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Formula:
C27H30N4O3S2
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Chemical Name:
2-[[4,4-dimethyl-8-(2-methylpropyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
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Synonyms:
Oprea1_115340;ZINC2224921;STK721575;AKOS005530487;MCULE-3442502857;2-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide;799802-61-2
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CAS No:
2-[[4,4-dimethyl-8-(2-methylpropyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide Basic Attributes
522.7 g/mol
522.17593318 g/mol
Computed Properties
Molecular Weight:522.7
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:522.17593318
Monoisotopic Mass:522.17593318
Topological Polar Surface Area:140
Heavy Atom Count:36
Complexity:763
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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