N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | Y502-6926 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide |
| Molecular Weight: | 344.77 |
| Molecular Formula: | C17 H14 Cl F N4 O |
| Smiles: | Cc1ccc(cc1)C(Nc1ncn(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0202 |
| logD: | 3.8703 |
| logSw: | -4.3736 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.551 |
| InChI Key: | NRWJRDAIEOHJMN-UHFFFAOYSA-N |