2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-methylphenyl)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-methylphenyl)acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | P573-1536 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | Cc1cccc(c1)NC(CN1C(N2C=CC(=NC2=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7551 |
| logD: | 2.7546 |
| logSw: | -2.9339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.536 |
| InChI Key: | YSIBRLKYDGSMSH-UHFFFAOYSA-N |