diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 8015-7582 |
| Compound Name: | diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 539.71 |
| Molecular Formula: | C29 H33 N O5 S2 |
| Smiles: | CCCC1=C(C(C2=C(CC(C(C2=O)C(=O)OCC)c2cccs2)N1)c1ccc(cc1)SC)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2864 |
| logD: | 1.7502 |
| logSw: | -5.4817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.681 |
| InChI Key: | SCAHLAWCZOTXAT-UHFFFAOYSA-N |