rel-(3aR,4R,7aS)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methoxyoctahydro-1H-isoindole
Chemical Structure Depiction of
rel-(3aR,4R,7aS)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methoxyoctahydro-1H-isoindole
rel-(3aR,4R,7aS)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methoxyoctahydro-1H-isoindole
Compound characteristics
| Compound ID: | S890-0078 |
| Compound Name: | rel-(3aR,4R,7aS)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methoxyoctahydro-1H-isoindole |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C19 H24 F N3 O |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(Cc2c[nH]nc2c2ccc(cc2)F)C1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6413 |
| logD: | -1.0703 |
| logSw: | -2.8426 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.315 |
| InChI Key: | WQLAILRPDLOTRH-JLSDUUJJSA-N |