rel-(4aR,10bR)-5-(3-ethoxy-2-methoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-5-(3-ethoxy-2-methoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(3-ethoxy-2-methoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0734 |
| Compound Name: | rel-(4aR,10bR)-5-(3-ethoxy-2-methoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C23 H29 N O3 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1cccc(c1OC)OCC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0338 |
| logD: | 5.0333 |
| logSw: | -4.6462 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.757 |
| InChI Key: | MFZZBAOVIPIAPP-URJRECBDSA-N |