2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G419-0726 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CSc1cccc(c1)NC(CN1C=Cn2c(cc(c3ccc4c(c3)OCO4)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8 |
| logD: | 2.8 |
| logSw: | -3.3395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.235 |
| InChI Key: | WJEGDUZEKXKEDX-UHFFFAOYSA-N |