N-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0045 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Smiles: | COc1ccc(CCNC(CN2C=Nc3c(C2=O)nc2CCCCCn23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.8531 |
| logD: | 0.8524 |
| logSw: | -2.1499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.702 |
| InChI Key: | VAJVEGLIVRLDPK-UHFFFAOYSA-N |