3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Chemical Structure Depiction of
3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | E591-0242 |
| Compound Name: | 3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C23 H30 N6 O S |
| Smiles: | CC1CCN(CC1)c1ccc2nnc(CCC(NCCc3ccc(cc3)SC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9629 |
| logD: | 2.9629 |
| logSw: | -3.4255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.602 |
| InChI Key: | YFEVKHLWPZDBBP-UHFFFAOYSA-N |