4-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1f9a5e28c9c0435698d754dd529f2089.png "4-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]benzoic acid
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CAS No:
733796-99-1
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Formula:
C16H15N5O3S
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Chemical Name:
4-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
ZINC3339093;AKOS033772424;MCULE-9495127611;Z21477363;4-[2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoic acid;733796-99-1
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CAS No:
4-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]benzoic acid Basic Attributes
357.4 g/mol
357.08956053 g/mol
Computed Properties
Molecular Weight:357.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:357.08956053
Monoisotopic Mass:357.08956053
Topological Polar Surface Area:135
Heavy Atom Count:25
Complexity:500
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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