N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | Y502-3539 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C18 H17 Cl N4 O3 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1ncn(Cc2ccccc2[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6214 |
| logD: | 3.6128 |
| logSw: | -3.9462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.639 |
| InChI Key: | HVWFEPZTGFPZDE-UHFFFAOYSA-N |