N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide
Compound characteristics
| Compound ID: | C301-9435 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide |
| Molecular Weight: | 455.36 |
| Molecular Formula: | C22 H16 Cl2 N4 O S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Cl])Sc1ccccc1NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6497 |
| logD: | 5.6496 |
| logSw: | -6.0511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.462 |
| InChI Key: | YEHDOSFTFOOCIY-UHFFFAOYSA-N |