diethyl 2-amino-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 2-amino-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 2-amino-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 8016-4481 |
| Compound Name: | diethyl 2-amino-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 655.65 |
| Molecular Formula: | C32 H28 F3 N3 O7 S |
| Smiles: | CCOC(C1C(CC2=C(C(C(=C(N)N2c2cccc(c2)C(F)(F)F)C(=O)OCC)c2cccc(c2)[N+]([O-])=O)C1=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6396 |
| logD: | 5.6394 |
| logSw: | -5.4213 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.855 |
| InChI Key: | ZHPQLLDBXUYCLU-UHFFFAOYSA-N |