HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259159Generated: November 2, 2026
5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
https://huagongshe.com/en/chemical/5259159
Identifiers & Physical Properties
| CAS No. | 7050-65-9 |
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| Molecular formula | C33H28FN3O6S2 |
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| Average molar mass | 645.7 g/mol |
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| Monoisotopic mass | 645.14035613 g/mol |
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| SMILES | CCCCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 |
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| InChIKey | NZIPORXUFUAYJL-UHFFFAOYSA-N |
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| PubChem CID | 5259159 |
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| DTXSID | DTXSID70413865 |
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Chemical & Physical Properties
| XLogP | 7.7 |
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| Topological polar surface area | 169 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 45 |
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| Formal charge | 0 |
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| Complexity | 1,080 |
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![5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one molecular structure](/img/chemical/5259159.png)