AC1NKCL6
2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dimethylphenyl)acetamide|2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide|2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide|2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(2,3- dimethylphenyl)acetamide
| Molecular Formula | C21H20FN7OS |
|---|---|
| Molecular Weight | 437.1434 g/mol |
| LogP | 3.53574 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.1434 |
| Monoisotopic Mass | 437.1434 |
| Heavy Atoms | 31 |
| Complexity | 1233.0166 |
Chemical Identifiers
| CAS Number | 879446-27-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F)C |
Product Overview
AC1NKCL6 (CAS 879446-27-2), with molecular formula C21H20FN7OS and molecular weight 437.1434 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.