benzyl 2,7,7-trimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2,7,7-trimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2,7,7-trimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1716-1843 |
| Compound Name: | benzyl 2,7,7-trimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C29 H33 N O4 |
| Smiles: | CC(C)Oc1ccccc1C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6713 |
| logD: | 1.6416 |
| logSw: | -5.5637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.668 |
| InChI Key: | GVCHAAWXLMRZIJ-SANMLTNESA-N |