rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-fluoro-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-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0231 |
| Compound Name: | rel-(4aR,10bR)-5-(3-bromo-4,5-dimethoxyphenyl)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 422.29 |
| Molecular Formula: | C20 H21 Br F N O3 |
| Smiles: | COc1cc(cc(c1OC)[Br])C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3414 |
| logD: | 4.3413 |
| logSw: | -4.3658 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.178 |
| InChI Key: | MORTZRFZIJADJP-LPHKOSDUSA-N |