AC1NJVEF
2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide|2-({4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide|2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide|2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(3-me thylphenyl)acetamide
| Molecular Formula | C20H18ClN7OS |
|---|---|
| Molecular Weight | 439.0982 g/mol |
| LogP | 3.74162 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.0982 |
| Monoisotopic Mass | 439.0982 |
| Heavy Atoms | 30 |
| Complexity | 1186.1005 |
Chemical Identifiers
| CAS Number | 879477-95-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)Cl |
Product Overview
AC1NJVEF (CAS 879477-95-9), with molecular formula C20H18ClN7OS and molecular weight 439.0982 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.