N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | Y502-3105 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide |
| Molecular Weight: | 330.75 |
| Molecular Formula: | C16 H12 Cl F N4 O |
| Smiles: | C(c1ccccc1[Cl])n1cnc(NC(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.385 |
| logD: | 2.8 |
| logSw: | -3.7954 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.551 |
| InChI Key: | VLHZTQPGOLTAKN-UHFFFAOYSA-N |