3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-benzylpiperazin-1-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-(4-benzylpiperazin-1-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-(4-benzylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-1497 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C27 H29 N7 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9576 |
| logD: | 1.9246 |
| logSw: | -2.57 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.223 |
| InChI Key: | XJPQTDCHIKPZPA-UHFFFAOYSA-N |