3-[[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![3-[[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/77ccc727411a45218286c0faf3e7c14d.png "3-[[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
3-[[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
896847-12-4
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Formula:
C21H15ClN4O4S
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Chemical Name:
3-[[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
SMR000650418;Oprea1_170764;MLS001140778;MLS003903961;CHEMBL1380922;HMS2949H05;ZINC2235602;STK599366;AKOS005520239;MCULE-6132411014;3-[({[4-(2-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid;896847-12-4
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CAS No:
3-[[2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
454.9 g/mol
454.0502538 g/mol
Computed Properties
Molecular Weight:454.9
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:454.0502538
Monoisotopic Mass:454.0502538
Topological Polar Surface Area:136
Heavy Atom Count:31
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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