rel-(3aR,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Chemical Structure Depiction of
rel-(3aR,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
rel-(3aR,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-2915 |
| Compound Name: | rel-(3aR,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C21 H24 Br N O3 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCO1)C(c1cc(c(c(c1)[Br])OC)OC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0108 |
| logD: | 5.0107 |
| logSw: | -4.6973 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.543 |
| InChI Key: | PCEYYOSHKLPLIM-XLDGYAMZSA-N |