N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | P032-2759 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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(NCc3ccc4c(c3)OCO4)=O)C(N12)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.4987 |
| logD: | 1.4904 |
| logSw: | -2.2879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.624 |
| InChI Key: | VAJRRGKFGPFDFF-UHFFFAOYSA-N |