4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile
4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | S757-0251 |
| Compound Name: | 4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CO[C@H]1CN(C2CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)[C@H]1c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0142 |
| logD: | 1.9606 |
| logSw: | -1.9765 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.128 |
| InChI Key: | YVFYSJQUNHGHDS-LEWJYISDSA-N |