4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f9f2847d52b2412b9484c0623ac9e19f.png "4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
577960-43-1
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Formula:
C23H19N5O3S
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Chemical Name:
4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
MLS000778312;CHEMBL1716211;HMS2757M18;ZINC2384490;AKOS032386076;SMR000415106;ST50425337;4-[2-(5-Pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid;4-{2-[4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}benz oic acid;577960-43-1
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CAS No:
4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
445.5 g/mol
445.12086066 g/mol
Computed Properties
Molecular Weight:445.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:445.12086066
Monoisotopic Mass:445.12086066
Topological Polar Surface Area:135
Heavy Atom Count:32
Complexity:631
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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