2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3058-5061 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C27 H31 N O6 |
| Smiles: | CC(C)OCCOC(C1C(C2=COc3ccccc3C2=O)C2=C(CC(C)(C)CC2=O)NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4882 |
| logD: | -0.9879 |
| logSw: | -3.8758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.063 |
| InChI Key: | LSBKWPNBDMCFPA-QHCPKHFHSA-N |