3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dd9c00d7650a4d4b8d5780a9b95629a0.png "3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
728034-92-2
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Formula:
C22H18N4O5S
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Chemical Name:
3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
Oprea1_501278;MLS001215742;CHEMBL1548169;HMS2922I20;ZINC2324292;STK328798;AKOS000585204;MCULE-2139209019;SMR000613642;3-[({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid;3-{2-[5-Furan-2-yl-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid;728034-92-2
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CAS No:
3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
450.5 g/mol
450.09979086 g/mol
Computed Properties
Molecular Weight:450.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:450.09979086
Monoisotopic Mass:450.09979086
Topological Polar Surface Area:145
Heavy Atom Count:32
Complexity:648
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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