rel-(3aR,4S,9bS)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
rel-(3aR,4S,9bS)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
Compound characteristics
| Compound ID: | 5408-1903 |
| Compound Name: | rel-(3aR,4S,9bS)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C21 H18 F3 N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2ccc(C(O)=O)c(C)c2N[C@H]1c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4864 |
| logD: | 3.0458 |
| logSw: | -5.3924 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.478 |
| InChI Key: | OBZCGXZLOPIXLW-GJYPPUQNSA-N |