HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54508564Generated: November 4, 2026
[2-(3-{4-cyano-3-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-benzyl}-2-methyl-3H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester
https://huagongshe.com/en/chemical/54508564
Identifiers & Physical Properties
| Molecular formula | C34H43N5O4 |
|---|
| Average molar mass | 585.7 g/mol |
|---|
| SMILES | CCC1(c2cccc(Oc3cc(Cn4c(CCNC(=O)OC(C)(C)C)cnc4C)ccc3C#N)c2)CCCCN(C)C1=O |
|---|
| InChIKey | YHMDDFLZGQYBNK-UHFFFAOYSA-N |
|---|
| PubChem CID | 54508564 |
|---|
Chemical & Physical Properties
| XLogP | 5.2 |
|---|
| Topological polar surface area | 109 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 11 |
|---|
| Heavy atoms | 43 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 991 |
|---|
![[2-(3-{4-cyano-3-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-benzyl}-2-methyl-3H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester molecular structure](/img/chemical/54508564.png)