3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Chemical Structure Depiction of
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | G395-1530 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C25 H26 N6 O3 S |
| Smiles: | CSc1ccc(CCNC(CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5425 |
| logD: | 2.5425 |
| logSw: | -3.0076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.603 |
| InChI Key: | NHJIHOWCBDGIJE-UHFFFAOYSA-N |