[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | S890-0112 |
| Compound Name: | [rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(c1cc(c2ccc(cc2)OC)n[nH]1)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8853 |
| logD: | 2.8847 |
| logSw: | -3.3495 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.074 |
| InChI Key: | JALHKBZSEHCECR-ALKREAHSSA-N |