AC1LR4NC
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: AO-022/41322057|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide|2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide|2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide|2-{[4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide|N-(3,4-difluorophenyl)-2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylt hio)]acetamide
| Molecular Formula | C21H14ClF2N5OS |
|---|---|
| Molecular Weight | 457.05756 g/mol |
| LogP | 4.9917 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.05756 |
| Monoisotopic Mass | 457.05756 |
| Heavy Atoms | 31 |
| Complexity | 1218.4346 |
Chemical Identifiers
| CAS Number | 613225-87-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=NC=C4)Cl |
Product Overview
AC1LR4NC (CAS 613225-87-9), with molecular formula C21H14ClF2N5OS and molecular weight 457.05756 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.