1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)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-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1830 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | Cc1ccccc1CN1CC[C@H]2CN(C[C@]2(C1)CO)C(COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3037 |
| logD: | -0.3187 |
| logSw: | -1.6302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.797 |
| InChI Key: | LMSNMHKWKQAWGC-IEBWSBKVSA-N |