S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate
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![S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/74d2ec11c5b045a490807cdc58a0323e.png "S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate")
S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate
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CAS No:
488823-06-9
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Formula:
C28H27N5O3S2
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Chemical Name:
S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate
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Synonyms:
ZINC2366198;STL233280;AKOS025273425;MCULE-8526075283;488823-06-9;S-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]methyl} (2-methoxyphenyl)carbamothioate
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CAS No:
S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate Basic Attributes
545.7 g/mol
545.15553209 g/mol
Computed Properties
Molecular Weight:545.7
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:545.15553209
Monoisotopic Mass:545.15553209
Topological Polar Surface Area:143
Heavy Atom Count:38
Complexity:845
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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