methyl 3-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G419-0783 |
| Compound Name: | methyl 3-{2-[2-(2H-1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C21 H16 N4 O6 S |
| Smiles: | COC(c1c(ccs1)NC(CN1C=Cn2c(cc(c3ccc4c(c3)OCO4)n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7574 |
| logD: | 1.7297 |
| logSw: | -2.6562 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.73 |
| InChI Key: | KHNLZGQWSLWJDH-UHFFFAOYSA-N |