N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(2-methylphenyl)acetamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(2-methylphenyl)acetamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F938-0431 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(2-methylphenyl)acetamide |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C18 H17 Br N4 O S |
| Smiles: | Cc1ccccc1CC(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1907 |
| logD: | 4.1907 |
| logSw: | -4.2169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.773 |
| InChI Key: | PMRSBQPIMWEGMY-UHFFFAOYSA-N |