N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0918 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 387.42 |
| Molecular Formula: | C17 H17 N5 O4 S |
| Smiles: | CC(C)SC1C=CC2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9052 |
| logD: | 2.9052 |
| logSw: | -3.3773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.713 |
| InChI Key: | IJPFELSLFOPBEO-UHFFFAOYSA-N |