4-{4-[rel-(3R,4S)-3-methoxy-2-oxo-4-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[rel-(3R,4S)-3-methoxy-2-oxo-4-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile
4-{4-[rel-(3R,4S)-3-methoxy-2-oxo-4-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | S741-0228 |
| Compound Name: | 4-{4-[rel-(3R,4S)-3-methoxy-2-oxo-4-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | CO[C@H]1C(N(C2CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)[C@H]1c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2267 |
| logD: | 1.2243 |
| logSw: | -2.1911 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.422 |
| InChI Key: | DUIJISXHLNBVNV-VQTJNVASSA-N |