1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
Compound characteristics
| Compound ID: | E591-0800 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one |
| Molecular Weight: | 390.49 |
| Molecular Formula: | C22 H26 N6 O |
| Smiles: | C1CCN(CC1)c1ccc2nnc(CCC(N3CCc4ccccc4C3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6889 |
| logD: | 2.6889 |
| logSw: | -2.652 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.343 |
| InChI Key: | JKYRTKXSXUJSBH-UHFFFAOYSA-N |