2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6498 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 445.64 |
| Molecular Formula: | C24 H31 N O3 S2 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0663 |
| logD: | 0.7791 |
| logSw: | -4.7855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | YZWSCBAAIOOYLZ-NRFANRHFSA-N |