2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | G856-6510 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C18 H14 N6 O4 S |
| Smiles: | Cc1cc(NC(CSc2nnc3ccc(c4ccc5c(c4)OCO5)nn23)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.7621 |
| logD: | 2.7433 |
| logSw: | -3.1716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.768 |
| InChI Key: | KMZDZQJMWKEGJN-UHFFFAOYSA-N |