2-(ethylsulfanyl)ethyl 2-methyl-4-(naphthalen-1-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-4-(naphthalen-1-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-4-(naphthalen-1-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0095 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-4-(naphthalen-1-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C31 H31 N O3 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1cccc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8487 |
| logD: | 2.4093 |
| logSw: | -6.8255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.426 |
| InChI Key: | ALNREXGABLYHAY-UHFFFAOYSA-N |