HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
![Ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate molecular structure](/img/chemical/178816632.png)
Identifiers & Physical Properties
| CAS No. | 354996-52-4 |
|---|---|
| Molecular formula | C29H28N2O4S |
| Average molar mass | 500.6 g/mol |
| SMILES | CCOC(=O)c1c(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)sc2c1CCC(C)C2 |
| InChIKey | PDTGXWXEZJJFCC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 7.1 |
|---|---|
| Topological polar surface area | 106 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 780 |