rel-(3aR,9bR)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Chemical Structure Depiction of
rel-(3aR,9bR)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
rel-(3aR,9bR)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-2916 |
| Compound Name: | rel-(3aR,9bR)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline |
| Molecular Weight: | 432.36 |
| Molecular Formula: | C22 H26 Br N O3 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCO1)C(c1cc(c(c(c1)[Br])OC)OCC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2857 |
| logD: | 5.2856 |
| logSw: | -5.3757 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.123 |
| InChI Key: | XRDANDYPWAYYLW-GMTNLFQVSA-N |