ethyl rel-(3aR,4S,9bS)-4-[2-(benzyloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Chemical Structure Depiction of
ethyl rel-(3aR,4S,9bS)-4-[2-(benzyloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
ethyl rel-(3aR,4S,9bS)-4-[2-(benzyloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Compound characteristics
| Compound ID: | 5408-0779 |
| Compound Name: | ethyl rel-(3aR,4S,9bS)-4-[2-(benzyloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C28 H27 N O3 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccccc1OCc1ccccc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1829 |
| logD: | 7.1829 |
| logSw: | -5.7126 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.389 |
| InChI Key: | BLUIHVLQEBVNNN-BCQCSXDESA-N |