1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1745 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 322.4 |
| Molecular Formula: | C17 H26 N2 O4 |
| Smiles: | Cc1ccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(COC)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.29 |
| logD: | -2.0591 |
| logSw: | -1.2664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.06 |
| InChI Key: | RYIYWAWTIYYMSH-RHSMWYFYSA-N |