N-(4-cyanophenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-cyanophenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-2080 |
| Compound Name: | N-(4-cyanophenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 384.4 |
| Molecular Formula: | C21 H16 N6 O2 |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5883 |
| logD: | 2.5777 |
| logSw: | -3.0861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.195 |
| InChI Key: | HWWDAESCACXCCU-UHFFFAOYSA-N |