AC1LPWXX
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE|2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone|2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone|2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-1-(4-fluorophenyl )ethan-1-one|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
| Molecular Formula | C21H14ClFN4OS |
|---|---|
| Molecular Weight | 424.0561 g/mol |
| LogP | 5.0968 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.0561 |
| Monoisotopic Mass | 424.0561 |
| Heavy Atoms | 29 |
| Complexity | 1131.827 |
Chemical Identifiers
| CAS Number | 613225-72-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F |
Product Overview
AC1LPWXX (CAS 613225-72-2), with molecular formula C21H14ClFN4OS and molecular weight 424.0561 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.