benzyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0165 |
| Compound Name: | benzyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C31 H29 N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)OCc1ccccc1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7381 |
| logD: | 2.0998 |
| logSw: | -5.4884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.007 |
| InChI Key: | XSHJVDGRRMZQKS-LJAQVGFWSA-N |