N-(3-acetylphenyl)-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-(3-acetylphenyl)-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1494 |
| Compound Name: | N-(3-acetylphenyl)-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 458.48 |
| Molecular Formula: | C24 H22 N6 O4 |
| Smiles: | CC(c1cccc(c1)NC(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0891 |
| logD: | 2.0889 |
| logSw: | -2.9279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.266 |
| InChI Key: | LKYDJQBXSQDZCE-UHFFFAOYSA-N |