2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
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![2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17428049999f4896b446e5e95cb1e5e7.png "2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide")
2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
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CAS No:
697245-46-8
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Formula:
C25H25N5O3S
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Chemical Name:
2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
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Synonyms:
ZINC1427816;STK778590;AKOS001742431;MCULE-7787968037;ST094768;2-(3,3-dimethyl-6-phenyl(3,4,7-trihydro-1H-pyrano[4,3-d]1,2,4-triazolo[4,5-e]p yrimidin-8-ylthio))-N-(3-methoxyphenyl)acetamide;2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide;2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N~1~-(3-methoxyphenyl)acetamide;697245-46-8
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CAS No:
2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide Basic Attributes
475.6 g/mol
475.16781085 g/mol
Computed Properties
Molecular Weight:475.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:475.16781085
Monoisotopic Mass:475.16781085
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:706
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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