N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(furan-2-yl)[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-(furan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(furan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6521 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(furan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C18 H13 N5 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2ccc(c3ccco3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3629 |
| logD: | 2.3629 |
| logSw: | -2.9391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.551 |
| InChI Key: | GSPLULPCLRBKCN-UHFFFAOYSA-N |