N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-2072 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.767 |
| logD: | 2.7565 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.254 |
| InChI Key: | CZCBCOMSJLGJSF-UHFFFAOYSA-N |