N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-2-methylpropanamide
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-2-methylpropanamide
Compound characteristics
| Compound ID: | L150-0290 |
| Compound Name: | N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-2-methylpropanamide |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C20 H21 Cl N4 O S |
| Smiles: | CC(C)C(Nc1ccccc1Sc1nc(nn1CCc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7246 |
| logD: | 4.7246 |
| logSw: | -4.7088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.712 |
| InChI Key: | LUEDJQGIUPOVHE-UHFFFAOYSA-N |