HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 74020249Generated: October 29, 2026
Ethyl 4-[5-[(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]butanoate
https://huagongshe.com/en/chemical/74020249
Identifiers & Physical Properties
| Molecular formula | C35H38N4O3S |
|---|
| Average molar mass | 594.8 g/mol |
|---|
| Monoisotopic mass | 594.26646226 g/mol |
|---|
| SMILES | CCOC(=O)CCCn1nncc1C=C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1SC(C)=O |
|---|
| InChIKey | DDMULZCIGCVBML-UHFFFAOYSA-N |
|---|
| PubChem CID | 74020249 |
|---|
Chemical & Physical Properties
| XLogP | 5.4 |
|---|
| Topological polar surface area | 103 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 13 |
|---|
| Heavy atoms | 43 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 880 |
|---|
![Ethyl 4-[5-[(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]butanoate molecular structure](/img/chemical/74020249.png)