N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0057 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CCN(CCCNC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7505 |
| logD: | 0.1036 |
| logSw: | -2.159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.128 |
| InChI Key: | IXQYMIXUKPCBNX-UHFFFAOYSA-N |