4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1e7eba837a384922aa0fb0a5e6def595.png "4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
726165-11-3
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Formula:
C24H21N5O3S
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Chemical Name:
4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
4-(2-{[4-(4-ethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid;726165-11-3;4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid;MLS000775387;CHEMBL1872490;HMS2743B17;ZINC3269552;AKOS033632805;MCULE-9117382220;SMR000368461;EN300-04987;Z18587941;4-{2-[4-(4-EtPh)-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylthio]acetamido}benzoic acid
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CAS No:
4-[[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
459.5 g/mol
459.13651072 g/mol
Computed Properties
Molecular Weight:459.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:459.13651072
Monoisotopic Mass:459.13651072
Topological Polar Surface Area:135
Heavy Atom Count:33
Complexity:646
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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