2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4323-7141 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 513.67 |
| Molecular Formula: | C27 H31 N O5 S2 |
| Smiles: | CCOc1cc(ccc1O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1cccs1)C(=O)OCCSCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.842 |
| logD: | 0.4962 |
| logSw: | -4.3091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.474 |
| InChI Key: | XIIRRDXZDGADIA-UHFFFAOYSA-N |