HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58905270Generated: November 4, 2026
2-{3'-[3-({[2-(Methylsulfonyl)ethyl]amino}carbonyl)-4-oxo-1,8-naphthyridin-1(4h)-yl]-1,1'-biphenyl-4-yl}cyclopropanecarboxylic acid
https://huagongshe.com/en/chemical/58905270
Identifiers & Physical Properties
| Molecular formula | C28H25N3O6S |
|---|
| Average molar mass | 531.6 g/mol |
|---|
| Monoisotopic mass | 531.1464067 g/mol |
|---|
| SMILES | CS(=O)(=O)CCNC(=O)c1cn(-c2cccc(-c3ccc(C4CC4C(=O)O)cc3)c2)c2ncccc2c1=O |
|---|
| InChIKey | AYBLQENTZBLEKJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 58905270 |
|---|
Chemical & Physical Properties
| XLogP | 3.3 |
|---|
| Topological polar surface area | 142 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 8 |
|---|
| Rotatable bonds | 8 |
|---|
| Heavy atoms | 38 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,060 |
|---|
![2-{3'-[3-({[2-(Methylsulfonyl)ethyl]amino}carbonyl)-4-oxo-1,8-naphthyridin-1(4h)-yl]-1,1'-biphenyl-4-yl}cyclopropanecarboxylic acid molecular structure](/img/chemical/58905270.png)