N-(2H-1,3-benzodioxol-5-yl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | C201-1170 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C18 H19 N5 O6 S |
| Smiles: | CC(C)(C)S(C1C=CC2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8921 |
| logD: | 1.8921 |
| logSw: | -2.9665 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.849 |
| InChI Key: | HEPRAZZJPRAPSB-UHFFFAOYSA-N |