N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0112 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | COc1ccc(c(CNC(CN2C=Nc3c(C2=O)nc2CCCCCn23)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7614 |
| logD: | 1.7607 |
| logSw: | -2.4519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.774 |
| InChI Key: | PZUYZOLGQOSDHM-UHFFFAOYSA-N |