3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C158-0009 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C25 H28 F3 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7118 |
| logD: | 0.8778 |
| logSw: | -4.4649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.041 |
| InChI Key: | HCPLBKQSEOCQFM-UHFFFAOYSA-N |