4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
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![4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/02e1727cb33e43459d435870c68c862a.png "4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid")
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
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CAS No:
348593-21-5
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Formula:
C22H17N3O2S
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Chemical Name:
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
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Synonyms:
4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid;MLS000766648;CHEMBL1444070;HMS2754E03;ZINC1446230;STK735647;AKOS001731714;MCULE-8963221567;SMR000414623;4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzoic acid;348593-21-5
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CAS No:
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Basic Attributes
387.5 g/mol
387.10414797 g/mol
Computed Properties
Molecular Weight:387.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:387.10414797
Monoisotopic Mass:387.10414797
Topological Polar Surface Area:93.3
Heavy Atom Count:28
Complexity:500
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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