rel-(4aR,10bR)-9-chloro-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-9-chloro-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-9-chloro-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0385 |
| Compound Name: | rel-(4aR,10bR)-9-chloro-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 353.85 |
| Molecular Formula: | C21 H20 Cl N O2 |
| Smiles: | C#CCOc1ccc(cc1)C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4756 |
| logD: | 4.4756 |
| logSw: | -4.784 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.2477 |
| InChI Key: | PQZQUXJBABVDHC-LYHOZKKVSA-N |