N-{1-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide
N-{1-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | Y502-3238 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide |
| Molecular Weight: | 407.25 |
| Molecular Formula: | C18 H16 Cl2 N4 O3 |
| Smiles: | COc1cccc(C(Nc2ncn(Cc3c(cccc3[Cl])[Cl])n2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7385 |
| logD: | 3.3324 |
| logSw: | -4.1435 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.899 |
| InChI Key: | CHYIEGVAQKNSSK-UHFFFAOYSA-N |