4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole
4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | S742-0245 |
| Compound Name: | 4-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C20 H23 N5 O3 S2 |
| Smiles: | CO[C@H]1CN(C2CCN(CC2)S(c2cccc3c2nsn3)(=O)=O)[C@H]1c1ccncc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3225 |
| logD: | 2.3071 |
| logSw: | -2.2731 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.935 |
| InChI Key: | MCQVPBFFFKVCIA-FXAWDEMLSA-N |