HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-5-methylthiophene-3-carboxylate
ethyl 2-({3-nitro-4-methylbenzoyl}amino)-5-methylthiophene-3-carboxylate
Identifiers & Physical Properties
| CAS No. | 444927-45-1 |
|---|---|
| Molecular formula | C16H16N2O5S |
| Average molar mass | 348.4 g/mol |
| SMILES | CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 |
| InChIKey | JEKHHKOGLHYYDT-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 129 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 5 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 495 |