3-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Chemical Structure Depiction of
3-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
3-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Compound characteristics
| Compound ID: | J038-0424 |
| Compound Name: | 3-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol |
| Molecular Weight: | 360.25 |
| Molecular Formula: | C18 H18 Br N O2 |
| Smiles: | C1C[C@H]2C(c3cccc(c3)O)Nc3ccc(cc3[C@H]2OC1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0562 |
| logD: | 4.0546 |
| logSw: | -3.8295 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.447 |
| InChI Key: | HCJUXBVEXDTXEU-CFNGDTMJSA-N |