methyl 2-{2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M460-4573 |
| Compound Name: | methyl 2-{2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | CC1CC(C)CN(C1)C1C2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N2C=CN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2239 |
| logD: | 2.2199 |
| logSw: | -3.0325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.552 |
| InChI Key: | PMDRARSOPHVAIS-UHFFFAOYSA-N |