N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | Y502-3226 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 390.8 |
| Molecular Formula: | C18 H16 Cl F N4 O3 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1ncn(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8623 |
| logD: | 3.8537 |
| logSw: | -4.3029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.639 |
| InChI Key: | QVSGSXBKGDMQRM-UHFFFAOYSA-N |