3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bf44c64b1ddc4454b2a547d42d43fa15.png "3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
838271-89-9
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Formula:
C21H15ClN4O3S2
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Chemical Name:
3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
CBKinase1_011882;CBKinase1_024282;C21H15ClN4O3S2;ZINC2202565;STK328837;AKOS005437434;MCULE-5416316841;BRD-K80857064-001-01-2;3-[({[4-(2-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid;838271-89-9
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CAS No:
3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
471.0 g/mol
470.0274104 g/mol
Computed Properties
Molecular Weight:471.0
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:470.0274104
Monoisotopic Mass:470.0274104
Topological Polar Surface Area:151
Heavy Atom Count:31
Complexity:646
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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