2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetic acid
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![2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/72b976025e6d4b56b53860f3ea46c4aa.png "2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetic acid")
2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetic acid
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CAS No:
371117-80-5
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Formula:
C21H20N4O4S2
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Chemical Name:
2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetic acid
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Synonyms:
ZINC2313769;STK538761;AKOS005469048;MCULE-4189101983;{[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetic acid;371117-80-5
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CAS No:
2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetic acid Basic Attributes
456.5 g/mol
456.09259748 g/mol
Computed Properties
Molecular Weight:456.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:456.09259748
Monoisotopic Mass:456.09259748
Topological Polar Surface Area:151
Heavy Atom Count:31
Complexity:692
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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