N-(2H-1,3-benzodioxol-5-yl)-2-[7-methyl-5-(4-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)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-4910 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H20 N6 O4 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2C(Nc2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3753 |
| logD: | 3.3751 |
| logSw: | -3.5393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.91 |
| InChI Key: | OWNVPGZXZOEBFG-UHFFFAOYSA-N |