1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[6-(dimethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]butan-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[6-(dimethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]butan-1-one
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[6-(dimethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]butan-1-one
Compound characteristics
| Compound ID: | IB08-5893 |
| Compound Name: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[6-(dimethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]butan-1-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | CN(C)c1ccc2nnc(CCCC(N3CCc4cc(c(cc4C3)OC)OC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 1.52 |
| logD: | 1.52 |
| logSw: | -2.42 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 126.36 |
| InChI Key: | IUNNNDXIAIQABN-UHFFFAOYSA-N |