2-(ethylsulfanyl)ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6626 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 414.57 |
| Molecular Formula: | C23 H30 N2 O3 S |
| Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8315 |
| logD: | -0.0643 |
| logSw: | -4.0405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.774 |
| InChI Key: | RGNNLTQJLZEKOD-NRFANRHFSA-N |