rel-(4aR,10bR)-9-bromo-5-(pyridin-4-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-9-bromo-5-(pyridin-4-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-9-bromo-5-(pyridin-4-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0412 |
| Compound Name: | rel-(4aR,10bR)-9-bromo-5-(pyridin-4-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 345.24 |
| Molecular Formula: | C17 H17 Br N2 O |
| Smiles: | C1C[C@H]2C(c3ccncc3)Nc3ccc(cc3[C@H]2OC1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.366 |
| logD: | 3.3605 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2582 |
| InChI Key: | QSRUXLXYUUZRAS-SCMQIHGUSA-N |