2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | P573-1586 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H23 Cl N6 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N2C=CC(=NC2=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9057 |
| logD: | 2.9052 |
| logSw: | -3.423 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.167 |
| InChI Key: | FEKNVHWQTVCVAB-UHFFFAOYSA-N |