N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V004-1251 |
| Compound Name: | N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 541.49 |
| Molecular Formula: | C26 H22 F3 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2cccc(c2)C(F)(F)F)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6032 |
| logD: | 5.6019 |
| logSw: | -5.5115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.558 |
| InChI Key: | ODEZTUFQCRBGGS-UHFFFAOYSA-N |