3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,4-difluorophenyl)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-(2,4-difluorophenyl)propanamide
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,4-difluorophenyl)propanamide
Compound characteristics
| Compound ID: | G395-1484 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,4-difluorophenyl)propanamide |
| Molecular Weight: | 452.42 |
| Molecular Formula: | C22 H18 F2 N6 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)C(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2641 |
| logD: | 2.2484 |
| logSw: | -2.9966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.742 |
| InChI Key: | LMRGYSBBMFAQQA-UHFFFAOYSA-N |