2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-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-(3-chlorophenyl)acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | P573-1577 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 400.87 |
| Molecular Formula: | C19 H21 Cl N6 O2 |
| Smiles: | C1CCCN(CC1)C1C=CN2C(N=1)=NN(CC(Nc1cccc(c1)[Cl])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.1487 |
| logD: | 3.1482 |
| logSw: | -3.4612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.536 |
| InChI Key: | HCVLZGKLBCQSNR-UHFFFAOYSA-N |