methyl 2-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate
methyl 2-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G419-0713 |
| Compound Name: | methyl 2-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C23 H18 N4 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C=Cn2c(cc(c3ccc4c(c3)OCO4)n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0636 |
| logD: | 2.0505 |
| logSw: | -3.1762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.712 |
| InChI Key: | BJANVYDRKFCBIM-UHFFFAOYSA-N |