N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | F938-0188 |
| Compound Name: | N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C20 H21 Br N4 O S |
| Smiles: | CC(C)C(Nc1ccccc1Sc1nc(nn1Cc1ccc(C)cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0462 |
| logD: | 5.0462 |
| logSw: | -4.5249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.7 |
| InChI Key: | VTPSMNQMOMJDCP-UHFFFAOYSA-N |