N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | Y502-4013 |
| Compound Name: | N-{1-[(2,4-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(Cc3ccc(cc3[Cl])[Cl])n2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9151 |
| logD: | 3.509 |
| logSw: | -4.2335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.899 |
| InChI Key: | IDIVSEZQSFHMLU-UHFFFAOYSA-N |