rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 5408-1865 |
| Compound Name: | rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 400.31 |
| Molecular Formula: | C21 H22 Br N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cccc(C)c2N[C@H]1c1cc(c(c(c1)[Br])OC)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2227 |
| logD: | 5.2227 |
| logSw: | -5.202 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.4169 |
| InChI Key: | XBJNOLZWBKIZPE-UVFQYZLESA-N |