rel-(3aR,4R,7aS)-4-methoxy-2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-isoindole
Chemical Structure Depiction of
rel-(3aR,4R,7aS)-4-methoxy-2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-isoindole
rel-(3aR,4R,7aS)-4-methoxy-2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-isoindole
Compound characteristics
| Compound ID: | S890-0089 |
| Compound Name: | rel-(3aR,4R,7aS)-4-methoxy-2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-isoindole |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C20 H27 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(Cc2c[nH]nc2c2cccc(c2)OC)C1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7609 |
| logD: | -0.9507 |
| logSw: | -3.086 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.859 |
| InChI Key: | IGKQUXXXTXMBHT-IPELMVKDSA-N |