1-[rel-(3aR,7aR)-2-acetyl-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-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one
1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S858-1140 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C18 H23 F N2 O4 |
| Smiles: | CC(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(COc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3922 |
| logD: | 0.3922 |
| logSw: | -1.334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.256 |
| InChI Key: | RWVSJUIMNYXELS-RDTXWAMCSA-N |