HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123736608Generated: November 2, 2026
3-(2-(4-Fluorophenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
https://huagongshe.com/en/chemical/123736608
Identifiers & Physical Properties
| Molecular formula | C23H21FN2O4 |
|---|
| Average molar mass | 408.4 g/mol |
|---|
| Monoisotopic mass | 408.14853532 g/mol |
|---|
| SMILES | COc1cc(C(=O)C=Cc2cccnc2Nc2ccc(F)cc2)cc(OC)c1OC |
|---|
| InChIKey | PUMVWXVXKDIAFZ-UHFFFAOYSA-N |
|---|
| PubChem CID | 123736608 |
|---|
Chemical & Physical Properties
| XLogP | 4.5 |
|---|
| Topological polar surface area | 69.7 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 8 |
|---|
| Heavy atoms | 30 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 553 |
|---|
