1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S858-2571 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C23 H27 F N2 O3 |
| Smiles: | C1CN(C[C@@]2(CN(Cc3ccccc3)C[C@H]12)CO)C(COc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2325 |
| logD: | -1.4381 |
| logSw: | -2.1048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.601 |
| InChI Key: | SYFMXYSZIIZEDP-XXBNENTESA-N |