rel-(3aR,9bR)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Chemical Structure Depiction of
rel-(3aR,9bR)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
rel-(3aR,9bR)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-2772 |
| Compound Name: | rel-(3aR,9bR)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C21 H24 Br N O3 |
| Smiles: | CCOc1c(cc(cc1[Br])C1[C@@H]2CCO[C@@H]2c2cc(C)ccc2N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.901 |
| logD: | 4.9008 |
| logSw: | -4.5818 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.123 |
| InChI Key: | WXUSICSWNIAIMA-XLDGYAMZSA-N |