AC1OBMRP
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
Also Known As: (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-4-ylmethylene)acetohydrazide|2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide|N-((1E)-2-(4-pyridyl)-1-azavinyl)-2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-tr iazol-3-ylthio)]acetamide
| Molecular Formula | C21H16ClN7OS |
|---|---|
| Molecular Weight | 449.08255 g/mol |
| LogP | 3.6201 |
| Topological Polar Surface Area | 97.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.08255 |
| Monoisotopic Mass | 449.08255 |
| Heavy Atoms | 31 |
| Complexity | 1181.601 |
Chemical Identifiers
| CAS Number | 613253-36-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)N/N=C/C3=CC=NC=C3)C4=CC=NC=C4)Cl |
Product Overview
AC1OBMRP (CAS 613253-36-4), with molecular formula C21H16ClN7OS and molecular weight 449.08255 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.