2-bromo-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Chemical Structure Depiction of
2-bromo-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
2-bromo-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Compound characteristics
| Compound ID: | J038-0658 |
| Compound Name: | 2-bromo-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol |
| Molecular Weight: | 388.3 |
| Molecular Formula: | C20 H22 Br N O2 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(c(c1)[Br])O)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7911 |
| logD: | 4.7528 |
| logSw: | -4.2356 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.378 |
| InChI Key: | QPLVWFKWAFFXKK-XLDGYAMZSA-N |