methyl 4-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
methyl 4-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0481 |
| Compound Name: | methyl 4-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | CN1CCN(CC1)c1ccc2nnc(CCC(Nc3ccc(cc3)C(=O)OC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3471 |
| logD: | 0.7761 |
| logSw: | -1.9784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.089 |
| InChI Key: | FUPIHOUASAJOFA-UHFFFAOYSA-N |