4-(((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)methyl)benzoic acid
4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: CBKinase1_009226|CBKinase1_021626|4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid|BRD-K34905772-001-01-9|4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid|4-({[4-(4-bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}methyl)benzoic acid|4-(((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)methyl)benzoic acid|4-[[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid|4-[[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid|4-{[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid|4-({[4-(4-bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid|644-184-6
| Molecular Formula | C21H15BrN4O2S |
|---|---|
| Molecular Weight | 466.00992 g/mol |
| LogP | 5.0823 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.00992 |
| Monoisotopic Mass | 466.00992 |
| Heavy Atoms | 29 |
| Complexity | 1129.827 |
Chemical Identifiers
| CAS Number | 678558-55-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC4=CC=C(C=C4)C(=O)O |
Product Overview
4-(((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)methyl)benzoic acid (CAS 678558-55-9), with molecular formula C21H15BrN4O2S and molecular weight 466.00992 g/mol. IUPAC: 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid.
4-(((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)methyl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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