HuagongsheHuagongshe Chemistry Print Report · For research reference only
AC1Lllzn
Identifiers & Physical Properties
| CAS No. | 5256-98-4 |
|---|---|
| Molecular formula | C19H21ClN2O2S |
| Average molar mass | 376.9 g/mol |
| Monoisotopic mass | 376.1012268 g/mol |
| SMILES | O=S(=O)(c1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChIKey | NRMPKYKDLBLXKC-QPJJXVBHSA-N |
| PubChem CID | 1069600 |
| DTXSID | DTXSID50360040 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 49 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 524 |