N-(2,4-dimethoxyphenyl)-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-dimethoxyphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
N-(2,4-dimethoxyphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E714-0015 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C20 H23 N5 O4 |
| Smiles: | COc1ccc(c(c1)OC)NC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7288 |
| logD: | 1.728 |
| logSw: | -2.4313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.754 |
| InChI Key: | DQXTVGALOLEMLL-UHFFFAOYSA-N |