rel-(3aR,4S,9bS)-8-bromo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-8-bromo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
rel-(3aR,4S,9bS)-8-bromo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Compound characteristics
| Compound ID: | 8017-5348 |
| Compound Name: | rel-(3aR,4S,9bS)-8-bromo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C20 H15 Br F3 N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(cc(C(O)=O)c2N[C@H]1c1cccc(c1)C(F)(F)F)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.9942 |
| logD: | 3.6863 |
| logSw: | -5.8817 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.478 |
| InChI Key: | ITPSVLQAOTZWJK-ZQIUZPCESA-N |