2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3,4-dimethoxyphenyl)acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | P573-1552 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(N2C=CC(=NC2=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.93 |
| logD: | 1.9296 |
| logSw: | -2.7865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.797 |
| InChI Key: | WLBMQDXAMUSZNK-UHFFFAOYSA-N |