2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-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-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0102 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C28 H29 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5011 |
| logD: | 1.0208 |
| logSw: | -5.5048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.813 |
| InChI Key: | DKGSCZMYKPYYSH-UHFFFAOYSA-N |