methyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4306-0652 |
| Compound Name: | methyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 467.65 |
| Molecular Formula: | C26 H29 N O3 S2 |
| Smiles: | CCc1cc(C2C(=C(C)NC3CC(CC(C2=3)=O)c2ccccc2)C(=O)OC)c(SCC)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6583 |
| logD: | 2.1371 |
| logSw: | -5.6049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.842 |
| InChI Key: | FTJOKJLTVQMJGO-UHFFFAOYSA-N |