3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)propanamide
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | G395-1496 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(5-chloro-2-methoxyphenyl)propanamide |
| Molecular Weight: | 480.91 |
| Molecular Formula: | C23 H21 Cl N6 O4 |
| Smiles: | COc1ccc(cc1NC(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6011 |
| logD: | 2.5941 |
| logSw: | -3.487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.372 |
| InChI Key: | ZJEHOIWSUGAUOF-UHFFFAOYSA-N |