2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0242 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 459.6 |
| Molecular Formula: | C25 H33 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(ccc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6962 |
| logD: | 0.4091 |
| logSw: | -4.6032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.143 |
| InChI Key: | OPTXYFSINLXJTO-QFIPXVFZSA-N |