N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V003-3953 |
| Compound Name: | N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 483.41 |
| Molecular Formula: | C23 H16 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1nc(c2ccc(cc2)C(F)(F)F)n(c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7415 |
| logD: | 5.7415 |
| logSw: | -5.6038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.707 |
| InChI Key: | XHOVFCYHUKHHII-UHFFFAOYSA-N |