4-{4-[rel-(2R,3S)-3-methoxy-4-oxo-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[rel-(2R,3S)-3-methoxy-4-oxo-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile
4-{4-[rel-(2R,3S)-3-methoxy-4-oxo-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S743-0025 |
| Compound Name: | 4-{4-[rel-(2R,3S)-3-methoxy-4-oxo-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | CC(C)N1C([C@@H]([C@@H]1C1CCN(CC1)C(c1ccc(C#N)cc1)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.315 |
| logD: | 1.315 |
| logSw: | -1.8353 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.894 |
| InChI Key: | NSUMQLXTKXYIGL-ZWKOTPCHSA-N |