1-(azepan-1-yl)-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6634 |
| Compound Name: | 1-(azepan-1-yl)-2-{[6-(pyridin-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C18 H20 N6 O S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc2ccc(c3ccncc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0987 |
| logD: | 2.0978 |
| logSw: | -2.1892 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.859 |
| InChI Key: | WPTUBIZZOWSHAU-UHFFFAOYSA-N |