4-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ebbca5f225e8438996c0ca6a41825872.png "4-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
765905-57-5
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Formula:
C26H23N3O4S2
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Chemical Name:
4-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
ZINC2264165;STK554839;AKOS005481160;MCULE-6991766831;ST50419831;4-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoic acid;4-[({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid;4-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyr imidin-2-ylthio]acetylamino}benzoic acid;765905-57-5
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CAS No:
4-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
505.6 g/mol
505.11299857 g/mol
Computed Properties
Molecular Weight:505.6
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:505.11299857
Monoisotopic Mass:505.11299857
Topological Polar Surface Area:153
Heavy Atom Count:35
Complexity:852
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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