2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(4-chlorophenyl)acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | P573-1578 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 400.87 |
| Molecular Formula: | C19 H21 Cl N6 O2 |
| Smiles: | C1CCCN(CC1)C1C=CN2C(N=1)=NN(CC(Nc1ccc(cc1)[Cl])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.9898 |
| logD: | 2.9894 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.536 |
| InChI Key: | HJCXBXAKWGEEPZ-UHFFFAOYSA-N |