N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methylbenzamide
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | Y502-4125 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methylbenzamide |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C17 H15 Cl N4 O |
| Smiles: | Cc1cccc(c1)C(Nc1ncn(Cc2ccccc2[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.727 |
| logD: | 3.3987 |
| logSw: | -3.9809 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.551 |
| InChI Key: | HHYGBIYRHLPELW-UHFFFAOYSA-N |