methyl 4-{2-[7-(2-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[7-(2-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[7-(2-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P573-1500 |
| Compound Name: | methyl 4-{2-[7-(2-methylpiperidin-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C21 H24 N6 O4 |
| Smiles: | CC1CCCCN1C1C=CN2C(N=1)=NN(CC(Nc1ccc(cc1)C(=O)OC)=O)C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1497 |
| logD: | 2.1495 |
| logSw: | -2.707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.664 |
| InChI Key: | MFGSPQXLBDNQPT-AWEZNQCLSA-N |