3-{[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methoxyacetyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methoxyacetyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile
3-{[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methoxyacetyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S858-1714 |
| Compound Name: | 3-{[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methoxyacetyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | COCC(N1C[C@@H]2CCN(Cc3cccc(C#N)c3)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1055 |
| logD: | -0.5622 |
| logSw: | -1.4403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.853 |
| InChI Key: | GYGZYYVALBXYFE-IEBWSBKVSA-N |