ethyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
ethyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0299 |
| Compound Name: | ethyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCc1nnc2ccc(nn12)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6044 |
| logD: | 2.6042 |
| logSw: | -3.0102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.558 |
| InChI Key: | XIOWPOLEWBLWOG-UHFFFAOYSA-N |