2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | P572-4593 |
| Compound Name: | 2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2C(Nc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7602 |
| logD: | 2.7601 |
| logSw: | -3.2392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.91 |
| InChI Key: | AGLXINSRVOAWOG-UHFFFAOYSA-N |