methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2326-3329 |
| Compound Name: | methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 512.4 |
| Molecular Formula: | C26 H26 Br N O5 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CC(CC(C1=2)=O)c1ccccc1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3012 |
| logD: | 0.8209 |
| logSw: | -5.139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.513 |
| InChI Key: | SMBAHXCBDFRXKJ-UHFFFAOYSA-N |