ethyl 3-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
ethyl 3-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0782 |
| Compound Name: | ethyl 3-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(CCc1nnc2ccc(nn12)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2203 |
| logD: | 3.2203 |
| logSw: | -3.3118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.192 |
| InChI Key: | NECWVBLZMBDRDX-UHFFFAOYSA-N |