2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E714-0023 |
| Compound Name: | 2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C21 H25 N5 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3642 |
| logD: | 1.3632 |
| logSw: | -2.1329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.256 |
| InChI Key: | FOAHRCOFFOKSQH-UHFFFAOYSA-N |