AC1M03HT
4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid|4-(2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid|4-[2-(5-Pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid|4-{2-[4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}benz oic acid|4-(2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12085 g/mol |
| LogP | 4.06672 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.12085 |
| Monoisotopic Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1239.1343 |
Chemical Identifiers
| CAS Number | 577960-43-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4 |
Product Overview
AC1M03HT (CAS 577960-43-1), with molecular formula C23H19N5O3S and molecular weight 445.12085 g/mol. IUPAC: 4-[[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
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