N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]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-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0081 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C25 H33 N7 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CCNC(CN2C=Nc3c(C2=O)nc2CCCCCn23)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.3093 |
| logD: | 1.2304 |
| logSw: | -2.1577 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.228 |
| InChI Key: | OYZFXHAQUOONEW-UHFFFAOYSA-N |