[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
Chemical Structure Depiction of
[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
Compound characteristics
| Compound ID: | P047-0442 |
| Compound Name: | [3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C12 H13 N5 O3 S2 |
| Smiles: | C(C#N)N1C(N2C=C(C=CC2=N1)S(N1CCSCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1694 |
| logD: | -0.1695 |
| logSw: | -1.124 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.252 |
| InChI Key: | SFMJIGNPDKGARK-UHFFFAOYSA-N |