2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9575 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 489.63 |
| Molecular Formula: | C26 H35 N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(c(cc1OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9674 |
| logD: | -0.3197 |
| logSw: | -4.0554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.86 |
| InChI Key: | HWYYNPAIDNHBCS-QHCPKHFHSA-N |