diethyl 2-amino-1-(2,4-difluorophenyl)-4-(2-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 2-amino-1-(2,4-difluorophenyl)-4-(2-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 2-amino-1-(2,4-difluorophenyl)-4-(2-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 8016-5165 |
| Compound Name: | diethyl 2-amino-1-(2,4-difluorophenyl)-4-(2-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 596.63 |
| Molecular Formula: | C31 H27 F3 N2 O5 S |
| Smiles: | CCOC(C1C(CC2=C(C(C(=C(N)N2c2ccc(cc2F)F)C(=O)OCC)c2ccccc2F)C1=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.277 |
| logD: | 5.2769 |
| logSw: | -5.0915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.172 |
| InChI Key: | PETXMXIXQPSQJR-UHFFFAOYSA-N |