N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3-methylbenzamide
Chemical Structure Depiction of
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3-methylbenzamide
N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3-methylbenzamide
Compound characteristics
| Compound ID: | L150-0213 |
| Compound Name: | N-(2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)-3-methylbenzamide |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C24 H21 Cl N4 O S |
| Smiles: | Cc1cccc(c1)C(Nc1ccccc1Sc1nc(nn1CCc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6551 |
| logD: | 5.6551 |
| logSw: | -5.9026 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.441 |
| InChI Key: | KAKZEZJLXJFXPN-UHFFFAOYSA-N |