HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11632142Generated: November 4, 2026
5-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-benzo[4,5]thieno[3,2-d]pyrimidin-1-ylmethyl)-furan-2-carboxylic acid methyl ester
https://huagongshe.com/en/chemical/11632142
Identifiers & Physical Properties
| Molecular formula | C17H12N2O6S |
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| Average molar mass | 372.4 g/mol |
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| Monoisotopic mass | 372.04160728 g/mol |
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| SMILES | COC(=O)c1ccc(Cn2c(=O)n(O)c(=O)c3sc4ccccc4c32)o1 |
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| InChIKey | HSXYHTHKKKFFEA-UHFFFAOYSA-N |
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| PubChem CID | 11632142 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 129 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 616 |
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![5-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-benzo[4,5]thieno[3,2-d]pyrimidin-1-ylmethyl)-furan-2-carboxylic acid methyl ester molecular structure](/img/chemical/11632142.png)