methyl 4-{3-[6-(diethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[6-(diethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
methyl 4-{3-[6-(diethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0735 |
| Compound Name: | methyl 4-{3-[6-(diethylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | CCN(CC)c1ccc2nnc(CCC(Nc3ccc(cc3)C(=O)OC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2569 |
| logD: | 2.2567 |
| logSw: | -2.7733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.896 |
| InChI Key: | FICHIIXFBUOENV-UHFFFAOYSA-N |