HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11856485Generated: October 30, 2026
Ethyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate
https://huagongshe.com/en/chemical/11856485
Identifiers & Physical Properties
| Molecular formula | C25H38N4O5 |
|---|
| Average molar mass | 474.6 g/mol |
|---|
| Monoisotopic mass | 474.28422033 g/mol |
|---|
| SMILES | CCCCCCCn1nc(NCCc2cccc(OC(C)(C)C(=O)OCC)c2)c(=O)n(C)c1=O |
|---|
| InChIKey | NOJMHFASRURCAK-UHFFFAOYSA-N |
|---|
| PubChem CID | 11856485 |
|---|
Chemical & Physical Properties
| XLogP | 5 |
|---|
| Topological polar surface area | 101 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 15 |
|---|
| Heavy atoms | 34 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 724 |
|---|
![Ethyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate molecular structure](/img/chemical/11856485.png)