1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S890-0260 |
| Compound Name: | 1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 289.37 |
| Molecular Formula: | C17 H23 N O3 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(Cc1cccc(c1)OC)=O)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6948 |
| logD: | 1.6948 |
| logSw: | -1.8184 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.672 |
| InChI Key: | KSOWHTWURUJYNN-KBMXLJTQSA-N |