N-(4-cyanophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-cyanophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M446-2078 |
| Compound Name: | N-(4-cyanophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C22 H18 N6 O3 |
| Smiles: | Cc1cc(C)cc(c1)OC1C2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6284 |
| logD: | 2.6283 |
| logSw: | -3.0912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.271 |
| InChI Key: | AFLUYZDYHFUQPH-UHFFFAOYSA-N |