ethyl 4-[2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamido]benzoate
ethyl 4-[2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E714-0140 |
| Compound Name: | ethyl 4-[2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamido]benzoate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nc1CCCCCn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.585 |
| logD: | 2.5842 |
| logSw: | -2.9443 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.031 |
| InChI Key: | USMQXROJBWKLOI-UHFFFAOYSA-N |