methyl 4-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
methyl 4-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | G395-1520 |
| Compound Name: | methyl 4-[3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C24 H22 N6 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4389 |
| logD: | 2.4388 |
| logSw: | -2.9886 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.614 |
| InChI Key: | ZXORXSGASSFSKX-UHFFFAOYSA-N |