2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)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-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0729 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)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)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1759 |
| logD: | 0.8302 |
| logSw: | -5.0771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.89 |
| InChI Key: | IUGXEQSYTBOJHE-UHFFFAOYSA-N |