2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4737-7402 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 511.66 |
| Molecular Formula: | C27 H29 N O5 S2 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2cccs2)NC=1C)c1ccc(cc1)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5645 |
| logD: | 0.2187 |
| logSw: | -4.4602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.467 |
| InChI Key: | FPSQQUCTWFLFIC-UHFFFAOYSA-N |