ethyl 2-{2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
ethyl 2-{2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F833-1023 |
| Compound Name: | ethyl 2-{2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C26 H24 N6 O4 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N2C=Cn3c(cc(c4cc(C)ccc4C)n3)C2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6481 |
| logD: | 3.644 |
| logSw: | -3.7679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.524 |
| InChI Key: | CFMKGHHPRZLRJN-UHFFFAOYSA-N |