ethyl 4-{2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
ethyl 4-{2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P032-3110 |
| Compound Name: | ethyl 4-{2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H20 N6 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2C(C)=NC(=CC2=N1)c1ccccn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6093 |
| logD: | 2.6009 |
| logSw: | -2.8972 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.94 |
| InChI Key: | FYXUVRNXIXLBSQ-UHFFFAOYSA-N |