rel-(3aR,9bR)-8-ethyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Chemical Structure Depiction of
rel-(3aR,9bR)-8-ethyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
rel-(3aR,9bR)-8-ethyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-2979 |
| Compound Name: | rel-(3aR,9bR)-8-ethyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C22 H23 N O2 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCO1)C(c1ccc(cc1)OCC#C)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5915 |
| logD: | 4.5915 |
| logSw: | -4.4404 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.6137 |
| InChI Key: | CMVKRFFLYOFETG-BYHNSMNUSA-N |