2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2398-3625 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C22 H25 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6944 |
| logD: | -0.2013 |
| logSw: | -3.9256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.084 |
| InChI Key: | LYSOIDAIHOGYHN-FQEVSTJZSA-N |