N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | C301-9193 |
| Compound Name: | N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 483.36 |
| Molecular Formula: | C22 H16 Br F N4 O S |
| Smiles: | C(c1ccc(cc1)F)n1c(nnc1[Br])Sc1ccccc1NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0007 |
| logD: | 5.0007 |
| logSw: | -4.8238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.234 |
| InChI Key: | CDCWNGPBEDRIDH-UHFFFAOYSA-N |