N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
Compound ID: | P032-3094 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
Molecular Weight: | 418.41 |
Molecular Formula: | C21 H18 N6 O4 |
Smiles: | CC1=NC(=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N12)=O)c1ccccn1 |
Stereo: | ACHIRAL |
logP: | 0.9804 |
logD: | 0.9721 |
logSw: | -2.1382 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.01 |
InChI Key: | FLQYUYSJNSKFKE-UHFFFAOYSA-N |