N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,2-dimethylpropanamide
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | F938-0179 |
| Compound Name: | N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,2-dimethylpropanamide |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C21 H23 Br N4 O S |
| Smiles: | Cc1ccc(Cn2c(nc(n2)[Br])Sc2ccccc2NC(C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1967 |
| logD: | 5.1967 |
| logSw: | -5.006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.7 |
| InChI Key: | KHJMCJWRJUOFOQ-UHFFFAOYSA-N |