N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E591-0877 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide |
| Molecular Weight: | 424.57 |
| Molecular Formula: | C22 H28 N6 O S |
| Smiles: | CSc1ccc(CCNC(CCc2nnc3ccc(nn23)N2CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6325 |
| logD: | 2.6325 |
| logSw: | -3.011 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.602 |
| InChI Key: | JDDOEAPGAALGRK-UHFFFAOYSA-N |