ethyl 2-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 2-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
ethyl 2-{3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0840 |
| Compound Name: | ethyl 2-{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(c1ccccc1NC(CCc1nnc2ccc(nn12)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7065 |
| logD: | 2.6806 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.494 |
| InChI Key: | NLUYGPDGQPYZCQ-UHFFFAOYSA-N |