methyl 4-{2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P573-1770 |
| Compound Name: | methyl 4-{2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C19 H20 N6 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C=CC(=NC2=N1)N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6977 |
| logD: | 1.6977 |
| logSw: | -2.2417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.745 |
| InChI Key: | CYZSYXUIIQXVHQ-UHFFFAOYSA-N |