3-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-carbonyl}benzonitrile
3-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S742-0492 |
| Compound Name: | 3-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C27 H26 N4 O2 |
| Smiles: | C1CN(CCC1N1C[C@@H]([C@@H]1c1ccncc1)Oc1ccccc1)C(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5151 |
| logD: | 2.4961 |
| logSw: | -3.5624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.18 |
| InChI Key: | AWXDVMHCJANTDJ-IZZNHLLZSA-N |