2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-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)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2984-4745 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 620.99 |
| Molecular Formula: | C29 H31 Br Cl N O5 S |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CC(CC(C1=2)=O)c1ccc(cc1)[Cl])C(=O)OCCSCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8545 |
| logD: | 2.3742 |
| logSw: | -6.1933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.387 |
| InChI Key: | FMTVNPGDULBHRC-UHFFFAOYSA-N |