3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylpropyl)propanamide
Chemical Structure Depiction of
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylpropyl)propanamide
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylpropyl)propanamide
Compound characteristics
| Compound ID: | G395-1512 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylpropyl)propanamide |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | CC(CNC(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.893 |
| logD: | 2.893 |
| logSw: | -3.3036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.762 |
| InChI Key: | LBVJEFYGQKUKKN-KRWDZBQOSA-N |