N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbenzamide
Chemical Structure Depiction of
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbenzamide
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbenzamide
Compound characteristics
| Compound ID: | C301-9250 |
| Compound Name: | N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]-3-methylbenzamide |
| Molecular Weight: | 497.39 |
| Molecular Formula: | C23 H18 Br F N4 O S |
| Smiles: | Cc1cccc(c1)C(Nc1ccccc1Sc1nnc(n1Cc1ccc(cc1)F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4768 |
| logD: | 5.4768 |
| logSw: | -5.4123 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.234 |
| InChI Key: | PHTRGPFJFRAMBU-UHFFFAOYSA-N |