3-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile
3-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S759-0316 |
| Compound Name: | 3-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | CC(C)N1C[C@@H]([C@@H]1C1CCN(CC1)C(c1cccc(C#N)c1)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.935 |
| logD: | -0.2077 |
| logSw: | -4.0168 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.714 |
| InChI Key: | BEKVHFSTXHPIHP-BJKOFHAPSA-N |