N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-difluorobenzamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-difluorobenzamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | L150-0264 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-difluorobenzamide |
| Molecular Weight: | 501.35 |
| Molecular Formula: | C22 H15 Br F2 N4 O S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Br])Sc1ccccc1NC(c1c(cccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4766 |
| logD: | 5.4764 |
| logSw: | -5.7404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.428 |
| InChI Key: | AKZDLFMEOJDTNP-UHFFFAOYSA-N |