HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10697613Generated: October 25, 2026
2-[7-(3,4-Dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindole
https://huagongshe.com/en/chemical/10697613
Identifiers & Physical Properties
| Molecular formula | C32H41NO4S |
|---|
| Average molar mass | 535.7 g/mol |
|---|
| SMILES | COc1ccc(C(CCCCCCN2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC |
|---|
| InChIKey | JVIBCEVSLTYPFB-UHFFFAOYSA-N |
|---|
| PubChem CID | 10697613 |
|---|
| ChEMBL | CHEMBL66877 |
|---|
Chemical & Physical Properties
| XLogP | 7.3 |
|---|
| Topological polar surface area | 65.5 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 14 |
|---|
| Heavy atoms | 38 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 639 |
|---|
![2-[7-(3,4-Dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindole molecular structure](/img/chemical/10697613.png)