ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | 8017-7013 |
| Compound Name: | ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate |
| Molecular Weight: | 584.57 |
| Molecular Formula: | C29 H23 F3 N2 O6 S |
| Smiles: | CCOC(C1C(CC2=C(C(CC(N2c2ccccc2C(F)(F)F)=O)c2cccc(c2)[N+]([O-])=O)C1=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2383 |
| logD: | 5.2383 |
| logSw: | -4.9761 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.066 |
| InChI Key: | BYGMAEJJPWIKOR-UHFFFAOYSA-N |