N-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-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: | G395-1686 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C23 H27 N7 O4 |
| Smiles: | C1CC(N(C1)CCCNc1ccc2nnc(CCC(Nc3ccc4c(c3)OCCO4)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4591 |
| logD: | -0.4592 |
| logSw: | -1.799 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.501 |
| InChI Key: | RHLBQSWNGBRJBI-UHFFFAOYSA-N |