rel-(4aR,10bR)-9-bromo-5-(3-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-9-bromo-5-(3-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-9-bromo-5-(3-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0470 |
| Compound Name: | rel-(4aR,10bR)-9-bromo-5-(3-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 362.24 |
| Molecular Formula: | C18 H17 Br F N O |
| Smiles: | C1C[C@H]2C(c3cccc(c3)F)Nc3ccc(cc3[C@H]2OC1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5793 |
| logD: | 4.5793 |
| logSw: | -4.4627 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.83 |
| InChI Key: | ROQBYUBBWZYQQL-CFNGDTMJSA-N |