N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
Compound characteristics
| Compound ID: | C301-9438 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide |
| Molecular Weight: | 358.85 |
| Molecular Formula: | C17 H15 Cl N4 O S |
| Smiles: | CC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0845 |
| logD: | 3.0845 |
| logSw: | -3.4923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.633 |
| InChI Key: | FQJZGAVLRGVIAL-UHFFFAOYSA-N |