7-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
Compound ID: | F835-0582 |
Compound Name: | 7-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
Molecular Weight: | 452.47 |
Molecular Formula: | C19 H12 N6 O4 S2 |
Smiles: | C1Oc2ccc(cc2O1)c1nc(CSC2=NNC(c3cc(c4cccs4)nn23)=O)on1 |
Stereo: | ACHIRAL |
logP: | 4.2202 |
logD: | 4.2185 |
logSw: | -4.4067 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.791 |
InChI Key: | RVUZGUGKLJMHPO-UHFFFAOYSA-N |