2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-phenylacetamide
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G856-6495 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C20 H15 N5 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)c1ccc2nnc(n2n1)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1961 |
| logD: | 3.1961 |
| logSw: | -3.49 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.972 |
| InChI Key: | NJQJXLWGQOXSGU-UHFFFAOYSA-N |