HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3-benzyl-4H-1,4-benzothiazine-2-carboxylate
Identifiers & Physical Properties
| CAS No. | 66155-36-0 |
|---|---|
| Molecular formula | C17H15NO2S |
| Average molar mass | 297.4 g/mol |
| Monoisotopic mass | 297.08234989 g/mol |
| SMILES | COC(=O)C1=C(Cc2ccccc2)Nc2ccccc2S1 |
| InChIKey | HVYKHRZDHOOKSP-UHFFFAOYSA-N |
| PubChem CID | 12371649 |
| DTXSID | DTXSID60494865 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 63.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 415 |