2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
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![2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f08f1ec12a944c9790857f8539cb57b7.png "2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide")
2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
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CAS No:
489414-11-1
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Formula:
C28H27N5O3S2
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Chemical Name:
2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
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Synonyms:
ZINC2252624;STL334662;AKOS022127319;MCULE-7430273483;2-{[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(2-methylphenyl)acetamide;489414-11-1
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CAS No:
2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Basic Attributes
545.7 g/mol
545.15553209 g/mol
Computed Properties
Molecular Weight:545.7
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:545.15553209
Monoisotopic Mass:545.15553209
Topological Polar Surface Area:143
Heavy Atom Count:38
Complexity:908
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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