N-(4-cyanophenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-cyanophenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-1933 |
| Compound Name: | N-(4-cyanophenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C22 H18 N6 O3 |
| Smiles: | COCC1=CC2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3025 |
| logD: | 2.2815 |
| logSw: | -2.9266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.96 |
| InChI Key: | XFBWLWZFHTYGIA-UHFFFAOYSA-N |