4-[[2-[[3-(4-methoxyphenyl)-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-methoxyphenyl)-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/20220811/552d7a26604f4c219aa71d7371fce635.png "4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[[3-(4-methoxyphenyl)-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:
841209-34-5
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Formula:
C26H23N3O5S2
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Chemical Name:
4-[[2-[[3-(4-methoxyphenyl)-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:
ZINC2389023;STK555515;AKOS005483173;MCULE-4682689702;4-[({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid;841209-34-5
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CAS No:
4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
521.6 g/mol
521.10791319 g/mol
Computed Properties
Molecular Weight:521.6
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:521.10791319
Monoisotopic Mass:521.10791319
Topological Polar Surface Area:162
Heavy Atom Count:36
Complexity:870
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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