2-[[7-(4-methylphenyl)-8-oxo-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-phenylethyl)acetamide
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![2-[[7-(4-methylphenyl)-8-oxo-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-phenylethyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1555f608b6764b74882c2529d5f85e00.png "2-[[7-(4-methylphenyl)-8-oxo-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-phenylethyl)acetamide")
2-[[7-(4-methylphenyl)-8-oxo-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-phenylethyl)acetamide
structure -
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CAS No:
799783-34-9
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Formula:
C28H27N5O2S2
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Chemical Name:
2-[[7-(4-methylphenyl)-8-oxo-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-phenylethyl)acetamide
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Synonyms:
ZINC2213452;STK553342;AKOS005479995;MCULE-7591881345;2-{[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(2-phenylethyl)acetamide;799783-34-9
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CAS No:
2-[[7-(4-methylphenyl)-8-oxo-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-phenylethyl)acetamide Basic Attributes
529.7 g/mol
529.16061747 g/mol
Computed Properties
Molecular Weight:529.7
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:529.16061747
Monoisotopic Mass:529.16061747
Topological Polar Surface Area:134
Heavy Atom Count:37
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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