HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 294792Generated: November 1, 2026
8-methoxy-2-(4-methylphenyl)sulfonyl-1H-2-benzazepin-5-one
https://huagongshe.com/en/chemical/294792
Identifiers & Physical Properties
| CAS No. | 25894-76-2 |
|---|
| Molecular formula | C18H17NO4S |
|---|
| Average molar mass | 343.4 g/mol |
|---|
| Monoisotopic mass | 343.0878292 g/mol |
|---|
| SMILES | COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)C=CC2=O |
|---|
| InChIKey | ISCBEWSFUZLFIW-UHFFFAOYSA-N |
|---|
| PubChem CID | 294792 |
|---|
| DTXSID | DTXSID80303980 |
|---|
Chemical & Physical Properties
| XLogP | 2.6 |
|---|
| Topological polar surface area | 72.1 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 24 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 587 |
|---|
