2-(ethylsulfanyl)ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2398-3622 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C27 H37 N O5 S |
| Smiles: | CCCOc1ccc(cc1OC)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCCSCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0239 |
| logD: | 0.7368 |
| logSw: | -4.8322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.104 |
| InChI Key: | JLGVAXXRLWBVQB-DEOSSOPVSA-N |