N-(2H-1,3-benzodioxol-5-yl)-2-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6433 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C20 H15 N5 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2ccc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.317 |
| logD: | 3.317 |
| logSw: | -3.6083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.972 |
| InChI Key: | XNLFRXRRRAVRMA-UHFFFAOYSA-N |