2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F804-1028 |
| Compound Name: | 2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H21 N5 O4 S |
| Smiles: | CC(C)(C)SC1C=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3309 |
| logD: | 2.3309 |
| logSw: | -2.9853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.42 |
| InChI Key: | ILMORYFRASZQGV-UHFFFAOYSA-N |