N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-chlorophenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-chlorophenoxy)acetamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-chlorophenoxy)acetamide
Compound characteristics
| Compound ID: | C301-9432 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-chlorophenoxy)acetamide |
| Molecular Weight: | 485.39 |
| Molecular Formula: | C23 H18 Cl2 N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Cl])Sc1ccccc1NC(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4857 |
| logD: | 5.4857 |
| logSw: | -5.9703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.748 |
| InChI Key: | NALCFGVXEVYBTE-UHFFFAOYSA-N |