3-{6-[4-(3-methoxyphenyl)piperazin-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-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | E591-0115 |
| Compound Name: | 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 531.68 |
| Molecular Formula: | C28 H33 N7 O2 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(CCC(NCCc3ccc(cc3)SC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3758 |
| logD: | 3.3758 |
| logSw: | -3.7967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.406 |
| InChI Key: | WXZGGSVENARWCQ-UHFFFAOYSA-N |