2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M446-2070 |
| Compound Name: | 2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1cc(C)cc(c1)OC1C2=NN(CC(Nc3cccc(c3)SC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4349 |
| logD: | 3.4349 |
| logSw: | -3.8406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.214 |
| InChI Key: | ABVHVPXIBOFDEY-UHFFFAOYSA-N |