ethyl rel-(3aR,4S,9bS)-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Chemical Structure Depiction of
ethyl rel-(3aR,4S,9bS)-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
ethyl rel-(3aR,4S,9bS)-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Compound characteristics
| Compound ID: | 5408-0777 |
| Compound Name: | ethyl rel-(3aR,4S,9bS)-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C22 H20 F3 N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccccc1C(F)(F)F)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.2988 |
| logD: | 6.2988 |
| logSw: | -5.5801 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.075 |
| InChI Key: | ONRURSMNXRQIMR-SXGZJXTBSA-N |