methyl 3-{2-[8-(4-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[8-(4-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 3-{2-[8-(4-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M460-0294 |
| Compound Name: | methyl 3-{2-[8-(4-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C21 H24 N6 O4 |
| Smiles: | CC1CCN(CC1)C1C2=NN(CC(Nc3cccc(c3)C(=O)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.256 |
| logD: | 2.256 |
| logSw: | -2.9786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.383 |
| InChI Key: | NUDXAJPHOTYWOV-UHFFFAOYSA-N |