rel-(3aR,9bR)-4-(2-bromo-5-ethoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Chemical Structure Depiction of
rel-(3aR,9bR)-4-(2-bromo-5-ethoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
rel-(3aR,9bR)-4-(2-bromo-5-ethoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-2794 |
| Compound Name: | rel-(3aR,9bR)-4-(2-bromo-5-ethoxyphenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline |
| Molecular Weight: | 388.3 |
| Molecular Formula: | C20 H22 Br N O2 |
| Smiles: | CCOc1ccc(c(c1)C1[C@@H]2CCO[C@@H]2c2cc(C)ccc2N1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.114 |
| logD: | 5.1139 |
| logSw: | -4.9562 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.3196 |
| InChI Key: | ZKJZZRJWRUAGDF-XLDGYAMZSA-N |