2-(2-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]ethan-1-one
2-(2-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S890-0042 |
| Compound Name: | 2-(2-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]ethan-1-one |
| Molecular Weight: | 291.36 |
| Molecular Formula: | C17 H22 F N O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(Cc1ccccc1F)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4876 |
| logD: | 2.4876 |
| logSw: | -2.3669 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.5134 |
| InChI Key: | XOKMLVJJATURBK-YCPHGPKFSA-N |