HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Chlorophenyl)-6,7-dimethoxy-2H-1,3-benzothiazine
Identifiers & Physical Properties
| CAS No. | 64460-71-5 |
|---|---|
| Molecular formula | C16H14ClNO2S |
| Average molar mass | 319.8 g/mol |
| Monoisotopic mass | 319.0433776 g/mol |
| SMILES | COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NCS2 |
| InChIKey | MGGHVJQQOJSSKI-UHFFFAOYSA-N |
| PubChem CID | 12370169 |
| DTXSID | DTXSID70494775 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 56.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 384 |