N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0078 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C20 H22 Cl N5 O2 |
| Smiles: | C1CCc2nc3C(N(CC(NCCc4ccc(cc4)[Cl])=O)C=Nc3n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9308 |
| logD: | 1.9301 |
| logSw: | -2.931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.441 |
| InChI Key: | QGBCUCIXQOVWGX-UHFFFAOYSA-N |