2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6481 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 477.62 |
| Molecular Formula: | C28 H31 N O4 S |
| Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccccc1OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5546 |
| logD: | 1.6588 |
| logSw: | -5.413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.283 |
| InChI Key: | BBLWDVJIXBQFOU-SANMLTNESA-N |