HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 367813Generated: October 27, 2026
Ethyl (7-benzyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetate
https://huagongshe.com/en/chemical/367813
Identifiers & Physical Properties
| Molecular formula | C16H16N4O4 |
|---|
| Average molar mass | 328.32 g/mol |
|---|
| SMILES | CCOC(=O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1 |
|---|
| InChIKey | QAJVCLQYEWJRPA-UHFFFAOYSA-N |
|---|
| PubChem CID | 367813 |
|---|
| ChEMBL | CHEMBL1992200 |
|---|
Chemical & Physical Properties
| XLogP | 1.3 |
|---|
| Topological polar surface area | 93.5 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 24 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 506 |
|---|
