methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P032-2313 |
| Compound Name: | methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N12)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5145 |
| logD: | 1.4918 |
| logSw: | -2.0446 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.043 |
| InChI Key: | ANRYSXJLWJMKGN-UHFFFAOYSA-N |