N-[(4-methylphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-[(4-methylphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0101 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | Cc1ccc(CNC(CN2C=Nc3c(C2=O)nc2CCCCCn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9847 |
| logD: | 1.984 |
| logSw: | -2.5467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.6 |
| InChI Key: | KXJIHSPRTKQUFC-UHFFFAOYSA-N |