methyl 4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3826-1195 |
| Compound Name: | methyl 4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 529.56 |
| Molecular Formula: | C29 H30 F3 N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)OC)OCc1cccc(c1)C(F)(F)F)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3866 |
| logD: | 1.0994 |
| logSw: | -5.7161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.04 |
| InChI Key: | IPWHDSCSOVFKGK-VWLOTQADSA-N |