4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2e14a40c2f9449a28977e6dbe45e4165.png "4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
585561-24-6
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Formula:
C22H16BrN5O3S
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Chemical Name:
4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
ZINC2392510;AKOS001061424;ST50419934;4-{2-[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}benzo ic acid;4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid;585561-24-6
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CAS No:
4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
510.4 g/mol
509.01572 g/mol
Computed Properties
Molecular Weight:510.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:509.01572
Monoisotopic Mass:509.01572
Topological Polar Surface Area:135
Heavy Atom Count:32
Complexity:643
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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