N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K400-04983 |
| Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 588.54 |
| Molecular Formula: | C26 H20 F4 N6 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NCc1nnc(n1c1ccc(cc1)F)SCC(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4867 |
| logD: | 4.4864 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.906 |
| InChI Key: | HUEOGPJOVUDLHZ-UHFFFAOYSA-N |