ethyl 1-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]piperidine-4-carboxylate
ethyl 1-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G395-1483 |
| Compound Name: | ethyl 1-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C24 H28 N6 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5538 |
| logD: | 1.5538 |
| logSw: | -2.1842 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.437 |
| InChI Key: | VBXSXYRGBAMZPI-UHFFFAOYSA-N |