N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | F938-0230 |
| Compound Name: | N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-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(nn1Cc1ccc(C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9189 |
| logD: | 4.9189 |
| logSw: | -4.7745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.734 |
| InChI Key: | CAXNGNGPIZOQSB-UHFFFAOYSA-N |