ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | 8017-5825 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,5-dioxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate |
| Molecular Weight: | 583.58 |
| Molecular Formula: | C30 H24 F3 N O6 S |
| Smiles: | CCOC(C1C(CC2=C(C(CC(N2c2cccc(c2)C(F)(F)F)=O)c2ccc3c(c2)OCO3)C1=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2787 |
| logD: | 5.2786 |
| logSw: | -5.2046 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.101 |
| InChI Key: | CYJRWCWVWDZWNL-UHFFFAOYSA-N |