[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | S890-0310 |
| Compound Name: | [rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C19 H23 N3 O3 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(c1cc(c2cccc(c2)OC)n[nH]1)=O)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1815 |
| logD: | 2.1809 |
| logSw: | -2.7213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.689 |
| InChI Key: | WXICVKZDMMSTRF-XUWXXGDYSA-N |