2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G856-6507 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | C1CCN(CC1)C(CSc1nnc2ccc(c3ccc4c(c3)OCO4)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6507 |
| logD: | 2.6507 |
| logSw: | -2.9642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.215 |
| InChI Key: | NWPUMHGKVNVPBH-UHFFFAOYSA-N |