methyl 2-(2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamido)benzoate
methyl 2-(2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | F833-0935 |
| Compound Name: | methyl 2-(2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[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: | CC(C)c1ccc(cc1)c1cc2C3=NN(CC(Nc4ccccc4C(=O)OC)=O)C(N3C=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8409 |
| logD: | 3.8368 |
| logSw: | -4.0515 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.945 |
| InChI Key: | VUQHFYLJRKAVFU-UHFFFAOYSA-N |