3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-0689 |
| Compound Name: | 3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C21 H25 Cl N6 O |
| Smiles: | CC1CCN(CC1)C(CCc1nnc2ccc(NCc3ccccc3[Cl])nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8405 |
| logD: | 2.8405 |
| logSw: | -3.469 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.567 |
| InChI Key: | VHAUGMFXMSPFGR-UHFFFAOYSA-N |