N-(4-cyanophenyl)-2-[8-(2-methylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[8-(2-methylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-cyanophenyl)-2-[8-(2-methylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M446-1914 |
| Compound Name: | N-(4-cyanophenyl)-2-[8-(2-methylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 400.4 |
| Molecular Formula: | C21 H16 N6 O3 |
| Smiles: | Cc1ccccc1OC1C2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0575 |
| logD: | 2.0574 |
| logSw: | -2.5625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.357 |
| InChI Key: | KNGAXLZNWDGMKQ-UHFFFAOYSA-N |