N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Compound characteristics
| Compound ID: | P496-1682 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C19 H18 Cl F N4 O |
| Smiles: | Cc1cccc(Cc2nc(CC(NCc3ccc(cc3[Cl])F)=O)[nH]n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.28 |
| logD: | 4.2774 |
| logSw: | -4.4557 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.204 |
| InChI Key: | FXSPWMBXUYCLEK-UHFFFAOYSA-N |