methyl 4-{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
methyl 4-{2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 4-{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: | F833-1024 |
| Compound Name: | methyl 4-{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: | 470.49 |
| Molecular Formula: | C25 H22 N6 O4 |
| Smiles: | Cc1ccc(C)c(c1)c1cc2C3=NN(CC(Nc4ccc(cc4)C(=O)OC)=O)C(N3C=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4706 |
| logD: | 3.4706 |
| logSw: | -3.6062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.642 |
| InChI Key: | PIOYAUROOJVXFC-UHFFFAOYSA-N |