2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0207 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C24 H31 N O3 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8773 |
| logD: | 0.5902 |
| logSw: | -4.7074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | NPGVTPUVHZTSQK-NRFANRHFSA-N |