methyl 4-[rel-(3aR,4S,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[rel-(3aR,4S,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
methyl 4-[rel-(3aR,4S,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | 5408-0871 |
| Compound Name: | methyl 4-[rel-(3aR,4S,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C20 H18 F N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccc(cc1)C(=O)OC)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9127 |
| logD: | 4.9127 |
| logSw: | -4.7601 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.495 |
| InChI Key: | GOECRXXHYNEYRF-BXWFABGCSA-N |