2-(ethylsulfanyl)ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4223-6813 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 473.67 |
| Molecular Formula: | C24 H27 N O3 S3 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2cccs2)NC=1C)c1ccc(C)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.499 |
| logD: | 1.0007 |
| logSw: | -5.394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.734 |
| InChI Key: | WBORJUFEOBSVPB-UHFFFAOYSA-N |