3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Compound characteristics
| Compound ID: | G395-1506 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C24 H22 N6 O5 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3208 |
| logD: | 1.3207 |
| logSw: | -2.0513 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.263 |
| InChI Key: | YYGWOHVRRKPTIK-UHFFFAOYSA-N |