N-(4-{3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(4-{3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V023-6350 |
| Compound Name: | N-(4-{3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 525.49 |
| Molecular Formula: | C26 H22 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc(cc2)C(F)(F)F)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.847 |
| logD: | 6.8458 |
| logSw: | -5.7756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.662 |
| InChI Key: | QOLDHRIXVWNJEU-UHFFFAOYSA-N |