N-[(3-chlorophenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-[(3-chlorophenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0126 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C19 H20 Cl N5 O2 |
| Smiles: | C1CCc2nc3C(N(CC(NCc4cccc(c4)[Cl])=O)C=Nc3n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2587 |
| logD: | 2.258 |
| logSw: | -3.4174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.6 |
| InChI Key: | IHRUDKWLGYNIJD-UHFFFAOYSA-N |