3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Chemical Structure Depiction of
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-1491 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5988 |
| logD: | 2.5988 |
| logSw: | -2.9467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.345 |
| InChI Key: | JRSNDLCEXVFNIM-UHFFFAOYSA-N |