2-methylpropyl 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-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methylpropyl 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: | 2406-3702 |
| Compound Name: | 2-methylpropyl 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: | 588.93 |
| Molecular Formula: | C29 H31 Br Cl N O5 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CC(CC(C1=2)=O)c1ccc(cc1)[Cl])C(=O)OCC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0857 |
| logD: | 2.6054 |
| logSw: | -6.2006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.468 |
| InChI Key: | LQNXCHSXPRFQIS-UHFFFAOYSA-N |