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-phenylacetamide
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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-phenylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/634e64dd388646248d7536bd0c0c262a.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-phenylacetamide")
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-phenylacetamide
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CAS No:
497244-34-5
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Formula:
C27H25N5O3S2
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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-phenylacetamide
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Synonyms:
ZINC2341398;STK542183;AKOS005471744;MCULE-7434957382;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-phenylacetamide;497244-34-5
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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-phenylacetamide Basic Attributes
531.7 g/mol
531.13988202 g/mol
Computed Properties
Molecular Weight:531.7
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:531.13988202
Monoisotopic Mass:531.13988202
Topological Polar Surface Area:143
Heavy Atom Count:37
Complexity:871
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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