HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 9844913Generated: October 27, 2026
1H-Isoindole-1,3(2H)-dione, 4-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-
https://huagongshe.com/en/chemical/9844913
Identifiers & Physical Properties
| Molecular formula | C20H22N2O6S |
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| Average molar mass | 418.5 g/mol |
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| SMILES | CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(N)c3C2=O)ccc1OC |
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| InChIKey | BHJUWEUNUCJYER-UHFFFAOYSA-N |
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| PubChem CID | 9844913 |
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| ChEMBL | CHEMBL474556 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 124 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 721 |
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![1H-Isoindole-1,3(2H)-dione, 4-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]- molecular structure](/img/chemical/9844913.png)