HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2-{[(2-chloropyridin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(2-chloro-3-pyridinyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
![Ethyl 2-{[(2-chloropyridin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate molecular structure](/img/chemical/178819873.png)
Identifiers & Physical Properties
| CAS No. | 350698-63-4 |
|---|---|
| Molecular formula | C17H17ClN2O3S |
| Average molar mass | 364.8 g/mol |
| SMILES | CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCC2 |
| InChIKey | LYFOHWPOCJRRDS-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 96.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 479 |