N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-fluorophenyl)acetamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | L150-0262 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(4-fluorophenyl)acetamide |
| Molecular Weight: | 497.39 |
| Molecular Formula: | C23 H18 Br F N4 O S |
| Smiles: | C(C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.902 |
| logD: | 4.902 |
| logSw: | -4.817 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.215 |
| InChI Key: | VVSKFBWDRSNRMF-UHFFFAOYSA-N |