N-[2-(4-methylphenyl)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-methylphenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-[2-(4-methylphenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0142 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | Cc1ccc(CCNC(CN2C=Nc3c(C2=O)nc2CCCCCn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7595 |
| logD: | 1.7587 |
| logSw: | -2.3666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.441 |
| InChI Key: | XBBSPPAREMDRLC-UHFFFAOYSA-N |