2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0348 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C26 H29 N O4 S2 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2OC)NC=1C)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4026 |
| logD: | 0.7698 |
| logSw: | -5.4112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.346 |
| InChI Key: | PBAFUFYCSHJIRB-UHFFFAOYSA-N |