N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}prop-2-enamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}prop-2-enamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C301-9436 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}prop-2-enamide |
| Molecular Weight: | 370.86 |
| Molecular Formula: | C18 H15 Cl N4 O S |
| Smiles: | C=CC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.935 |
| logD: | 3.935 |
| logSw: | -4.3232 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.52 |
| InChI Key: | MGOGHHQOQXKUNY-UHFFFAOYSA-N |