rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0869 |
| Compound Name: | rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 434.33 |
| Molecular Formula: | C21 H24 Br N O4 |
| Smiles: | COc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1cc(c(c(c1)[Br])OC)OC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2876 |
| logD: | 4.2864 |
| logSw: | -4.3876 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.721 |
| InChI Key: | YLINBZRSMWYZHZ-XLDGYAMZSA-N |