N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F938-0424 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 457.27 |
| Molecular Formula: | C17 H12 Br F3 N4 O S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1NC(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.47 |
| logD: | 4.47 |
| logSw: | -4.3448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.986 |
| InChI Key: | FIXXVVFGTNJPTJ-UHFFFAOYSA-N |