3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
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![3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9d601499cfac4c34936c90abdc1ab749.png "3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid")
3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
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CAS No:
849031-62-5
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Formula:
C13H14N4O3S
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Chemical Name:
3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
3-({[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid;ZINC5967790;STK328869;AKOS005437437;MCULE-2205448044;849031-62-5
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CAS No:
3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Basic Attributes
306.34 g/mol
306.07866149 g/mol
Computed Properties
Molecular Weight:306.34
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:306.07866149
Monoisotopic Mass:306.07866149
Topological Polar Surface Area:133
Heavy Atom Count:21
Complexity:382
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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