methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0129 |
| Compound Name: | methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C29 H27 N O4 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1cccc(c1)OCc1ccccc1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5676 |
| logD: | 1.2218 |
| logSw: | -5.5335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.069 |
| InChI Key: | BPOZOAGOPKFKDE-UHFFFAOYSA-N |