HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 89463522Generated: November 4, 2026
methyl 2-(tert-butoxy)-2-(6-methyl-1-(4-(methylsulfonyl)benzyl)-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
https://huagongshe.com/en/chemical/89463522
Identifiers & Physical Properties
| Molecular formula | C30H34N2O6S |
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| Average molar mass | 550.7 g/mol |
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| Monoisotopic mass | 550.21375798 g/mol |
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| SMILES | COC(=O)C(OC(C)(C)C)c1c(-c2ccc(C)cc2)c2ccn(Cc3ccc(S(C)(=O)=O)cc3)c2c(=O)n1C |
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| InChIKey | WJKMNBTVTDRSQD-UHFFFAOYSA-N |
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| PubChem CID | 89463522 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 103 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 1,040 |
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![methyl 2-(tert-butoxy)-2-(6-methyl-1-(4-(methylsulfonyl)benzyl)-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate molecular structure](/img/chemical/89463522.png)