N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-5-(2-methylanilino)-3-oxo[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-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-4741 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc4c(c3)OCO4)=O)C(N2C(Nc2ccccc2C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7009 |
| logD: | 2.7007 |
| logSw: | -2.9448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.534 |
| InChI Key: | GPYLKFCAQUCFTK-UHFFFAOYSA-N |