N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1055 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C23 H25 N7 O S |
| Smiles: | CSc1ccc(CCNC(CCc2nnc3ccc(NCc4cccnc4)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4017 |
| logD: | 1.3724 |
| logSw: | -1.7283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.006 |
| InChI Key: | JFNWWCOSBXGSDZ-UHFFFAOYSA-N |