methyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9804 |
| Compound Name: | methyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C27 H26 F3 N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(COc2cccc(c2)C(F)(F)F)c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9776 |
| logD: | 1.0819 |
| logSw: | -4.8305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.953 |
| InChI Key: | SUYMSZKXIWLCBM-DEOSSOPVSA-N |