N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methoxyphenyl)acetamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C301-9422 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C24 H21 Cl N4 O2 S |
| Smiles: | COc1ccc(CC(Nc2ccccc2Sc2nc(nn2Cc2ccccc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.728 |
| logD: | 4.728 |
| logSw: | -4.8242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.793 |
| InChI Key: | HUBUCPBLPBGYNM-UHFFFAOYSA-N |