2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0081 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 510.45 |
| Molecular Formula: | C23 H28 Br N O5 S |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CCCC(C1=2)=O)C(=O)OCCSCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4575 |
| logD: | 0.5617 |
| logSw: | -4.1851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.659 |
| InChI Key: | XNTIUCIZYPSQBE-FQEVSTJZSA-N |