N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenyl)acetamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenyl)acetamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F938-0423 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-methylphenyl)acetamide |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C18 H17 Br N4 O S |
| Smiles: | Cc1ccc(CC(Nc2ccccc2Sc2nc(nn2C)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7113 |
| logD: | 3.7113 |
| logSw: | -3.8988 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.773 |
| InChI Key: | KLJCOJFDKXAWOB-UHFFFAOYSA-N |