3-{[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(methoxyacetyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(methoxyacetyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzonitrile
3-{[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(methoxyacetyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S858-4516 |
| Compound Name: | 3-{[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(methoxyacetyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzonitrile |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | COCC(N1CC[C@H]2CN(Cc3cccc(C#N)c3)C[C@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1621 |
| logD: | -2.2449 |
| logSw: | -1.4065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.853 |
| InChI Key: | JSRWBFZPTDLXRH-MJGOQNOKSA-N |