3-{[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile
3-{[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S858-1370 |
| Compound Name: | 3-{[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methyl}benzonitrile |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C20 H25 N3 O2 |
| Smiles: | C1CC1C(N1C[C@@H]2CCN(Cc3cccc(C#N)c3)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3296 |
| logD: | 0.6619 |
| logSw: | -1.6626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.209 |
| InChI Key: | ZUXWYPZFNIXGGR-UYAOXDASSA-N |