HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4-Dichloro-N-(4-methoxy-2-nitrophenyl)benzo[b]thiophene-2-carboxamide
Benzo[b]thiophene-2-carboxamide, 3,4-dichloro-N-(4-methoxy-2-nitrophenyl)- · 3,4-dichloro-N-[2-nitro-4-(methyloxy)phenyl]-1-benzothiophene-2-carboxamide
![3,4-Dichloro-N-(4-methoxy-2-nitrophenyl)benzo[b]thiophene-2-carboxamide molecular structure](/img/chemical/178617543.png)
Identifiers & Physical Properties
| CAS No. | 332382-12-4 |
|---|---|
| Molecular formula | C16H10Cl2N2O4S |
| Average molar mass | 397.2 g/mol |
| Monoisotopic mass | 395.9738334 g/mol |
| SMILES | COc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c([N+](=O)[O-])c1 |
| InChIKey | LUKVUOLHFMXTRL-UHFFFAOYSA-N |
| PubChem CID | 3132031 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 521 |