ethyl 2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6829 |
| Compound Name: | ethyl 2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 558.55 |
| Molecular Formula: | C29 H29 F3 N2 O6 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)[N+]([O-])=O)OCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8338 |
| logD: | 1.5467 |
| logSw: | -5.7188 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.07 |
| InChI Key: | NEGXNCGHTQPBSP-VWLOTQADSA-N |