4-[rel-(3aR,4S,9bS)-9-chloro-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,4S,9bS)-9-chloro-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
4-[rel-(3aR,4S,9bS)-9-chloro-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8015-4215 |
| Compound Name: | 4-[rel-(3aR,4S,9bS)-9-chloro-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C20 H18 Cl N O3 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2c(ccc(c2N[C@H]1c1ccc(cc1)C(O)=O)OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3529 |
| logD: | 1.3814 |
| logSw: | -4.3228 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.108 |
| InChI Key: | DGQBJVYZBWGTDF-DEYYWGMASA-N |