1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1H-indol-4-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-[(1H-indol-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1H-indol-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1848 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(1H-indol-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | COCC(N1C[C@@H]2CCN(Cc3cccc4c3cc[nH]4)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7499 |
| logD: | -0.6905 |
| logSw: | -1.706 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.578 |
| InChI Key: | FWZJHMNISYKWEX-OXQOHEQNSA-N |