HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate
ethyl 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate
![Ethyl 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate molecular structure](/img/chemical/178774635.png)
Identifiers & Physical Properties
| CAS No. | 337470-73-2 |
|---|---|
| Molecular formula | C17H18ClNO4S2 |
| Average molar mass | 399.9 g/mol |
| SMILES | CCOC(=O)CSc1sc(C(=O)OCC)c(N)c1-c1ccc(Cl)cc1 |
| InChIKey | CLPOXPQMKYGGTG-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 132 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 9 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 460 |