N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3,4-dimethoxybenzamide
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | L150-0296 |
| Compound Name: | N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 495 |
| Molecular Formula: | C25 H23 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccccc1Sc1nc(nn1CCc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9082 |
| logD: | 4.9082 |
| logSw: | -5.0698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.701 |
| InChI Key: | JMZCRCFNMMUBEF-UHFFFAOYSA-N |