4-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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![4-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/56ee102179664175a5a44cda5701d4cc.png "4-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid")
4-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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CAS No:
679827-23-7
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Formula:
C25H22N2O3S2
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Chemical Name:
4-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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Synonyms:
4-({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid;ZINC2260284;STK554098;AKOS002192213;MCULE-8118900209;ST50085614;4-(((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid;4-{[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio]methyl}benzoic acid;679827-23-7
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CAS No:
4-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Basic Attributes
462.6 g/mol
462.10718492 g/mol
Computed Properties
Molecular Weight:462.6
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:462.10718492
Monoisotopic Mass:462.10718492
Topological Polar Surface Area:124
Heavy Atom Count:32
Complexity:744
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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