3-[6-(4-methylpiperazin-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-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | E591-0496 |
| Compound Name: | 3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C22 H29 N7 O S |
| Smiles: | CN1CCN(CC1)c1ccc2nnc(CCC(NCCc3ccc(cc3)SC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4506 |
| logD: | 0.8796 |
| logSw: | -2.3172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.079 |
| InChI Key: | CNNGEFJUQJOSDV-UHFFFAOYSA-N |