2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C201-1122 |
| Compound Name: | 2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 453.43 |
| Molecular Formula: | C20 H15 N5 O6 S |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N2C(C=CC(=N2)S(c2ccccc2)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2542 |
| logD: | 2.2542 |
| logSw: | -3.0231 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.577 |
| InChI Key: | IKJASRAHSVSULX-UHFFFAOYSA-N |