AC1MJKF0
methyl 4-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02170784|methyl 4-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate|methyl 4-(2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|methyl 4-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]benzoate|methyl 4-{2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate|4-[2-(4-Methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.10995 g/mol |
| LogP | 2.9995 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.10995 |
| Monoisotopic Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 939.34845 |
Chemical Identifiers
| CAS Number | 333318-79-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 |
Product Overview
AC1MJKF0 (CAS 333318-79-9), with molecular formula C19H18N4O3S and molecular weight 382.10995 g/mol. IUPAC: methyl 4-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.