AC1Q2FXS
N-(4-chloro-2-methylphenyl)-2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methylphenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(4-chloro-2-methylphenyl)-2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(4-chloro-2-methylphenyl)-2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(4-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)-4-(2-furylmethyl)(1,2,4-tria zol-3-ylthio)]acetamide
| Molecular Formula | C22H18ClFN4O2S |
|---|---|
| Molecular Weight | 456.0823 g/mol |
| LogP | 5.41812 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.0823 |
| Monoisotopic Mass | 456.0823 |
| Heavy Atoms | 31 |
| Complexity | 1210.2086 |
Chemical Identifiers
| CAS Number | 861140-75-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4F |
Product Overview
AC1Q2FXS (CAS 861140-75-2), with molecular formula C22H18ClFN4O2S and molecular weight 456.0823 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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