2-[6-(cyclohexylsulfanyl)-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-(cyclohexylsulfanyl)-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-(cyclohexylsulfanyl)-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: | F804-0219 |
Compound Name: | 2-[6-(cyclohexylsulfanyl)-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: | 441.51 |
Molecular Formula: | C21 H23 N5 O4 S |
Smiles: | C1CCC(CC1)SC1C=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.2413 |
logD: | 3.2413 |
logSw: | -3.361 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.341 |
InChI Key: | JAPQIPJBMPAHMI-UHFFFAOYSA-N |