HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66627770Generated: October 31, 2026
Benzo[1,3]dioxole-5-carboxylic acid (trans-4-{2-[4-(5-chloro-thiophene-2-carbonyl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
https://huagongshe.com/en/chemical/66627770
Identifiers & Physical Properties
| Molecular formula | C26H31ClN2O4S |
|---|
| Average molar mass | 503.1 g/mol |
|---|
| Monoisotopic mass | 502.1693063 g/mol |
|---|
| SMILES | O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(Cl)s3)CC2)CC1)c1ccc2c(c1)OCO2 |
|---|
| InChIKey | YNHAJSCFPVLIEI-UHFFFAOYSA-N |
|---|
| PubChem CID | 66627770 |
|---|
Chemical & Physical Properties
| XLogP | 5.7 |
|---|
| Topological polar surface area | 96.1 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 7 |
|---|
| Heavy atoms | 34 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 711 |
|---|
![Benzo[1,3]dioxole-5-carboxylic acid (trans-4-{2-[4-(5-chloro-thiophene-2-carbonyl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide molecular structure](/img/chemical/66627770.png)