N-(4-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
N-(4-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-1543 |
| Compound Name: | N-(4-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C24 H18 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc(cc2)C(F)(F)F)n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9545 |
| logD: | 5.9543 |
| logSw: | -5.6135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.286 |
| InChI Key: | DWBIPIFDPKJCDJ-UHFFFAOYSA-N |