rel-(4aR,10bR)-9-chloro-5-(3,4-diethoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-9-chloro-5-(3,4-diethoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-9-chloro-5-(3,4-diethoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0370 |
| Compound Name: | rel-(4aR,10bR)-9-chloro-5-(3,4-diethoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 387.91 |
| Molecular Formula: | C22 H26 Cl N O3 |
| Smiles: | CCOc1ccc(cc1OCC)C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5196 |
| logD: | 4.5196 |
| logSw: | -4.8437 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.25 |
| InChI Key: | HUJDJWBFALKDEP-OBLXYAIXSA-N |