HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,6-dichloro-N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylene]hydrazide · Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, [(2-hydroxy-5-methoxy-3-nitrophenyl)methylene]hydrazide (9CI)
![3,6-dichloro-N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide molecular structure](/img/chemical/178803113.png)
Identifiers & Physical Properties
| CAS No. | 585560-50-5 |
|---|---|
| Molecular formula | C17H11Cl2N3O5S |
| Average molar mass | 440.3 g/mol |
| SMILES | COc1cc(C=NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c(O)c([N+](=O)[O-])c1 |
| InChIKey | YJCKHGVBOMQOFA-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 145 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 4 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 622 |