AC1NE2JA
2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide|2-((5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide|2-[[5-(2-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide|2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide|2-[5-(2-chlorophenyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-N-(4-fluoroph enyl)acetamide
| Molecular Formula | C21H16ClFN4O2S |
|---|---|
| Molecular Weight | 442.06665 g/mol |
| LogP | 5.1097 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.06665 |
| Monoisotopic Mass | 442.06665 |
| Heavy Atoms | 30 |
| Complexity | 1146.2949 |
Chemical Identifiers
| CAS Number | 862104-31-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)F)Cl |
Product Overview
AC1NE2JA (CAS 862104-31-2), with molecular formula C21H16ClFN4O2S and molecular weight 442.06665 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
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