rel-(4aR,10bR)-5-(4-ethoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-5-(4-ethoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(4-ethoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
Compound ID: | J038-0645 |
Compound Name: | rel-(4aR,10bR)-5-(4-ethoxyphenyl)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
Molecular Weight: | 337.46 |
Molecular Formula: | C22 H27 N O2 |
Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(cc1)OCC)N2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.0492 |
logD: | 5.0492 |
logSw: | -4.6097 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 27.9536 |
InChI Key: | PYNCIZFHPPAICN-HURFNXGFSA-N |