N-(2H-1,3-benzodioxol-5-yl)-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1664 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C22 H25 N7 O4 |
| Smiles: | C1CC(N(C1)CCCNc1ccc2nnc(CCC(Nc3ccc4c(c3)OCO4)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4014 |
| logD: | 0.4014 |
| logSw: | -1.9603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.794 |
| InChI Key: | MYWGXOWLSMMKTH-UHFFFAOYSA-N |