N-(2-chloro-4-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-(2-chloro-4-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0086 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C19 H20 Cl N5 O2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7074 |
| logD: | 2.7065 |
| logSw: | -3.3928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.58 |
| InChI Key: | LJHMZLNCPYBWBX-UHFFFAOYSA-N |