HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259358Generated: November 3, 2026
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
https://huagongshe.com/en/chemical/5259358
Identifiers & Physical Properties
| CAS No. | 7050-77-3 |
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| Molecular formula | C32H23Cl2N3O6S2 |
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| Average molar mass | 680.6 g/mol |
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| Monoisotopic mass | 679.0405332 g/mol |
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| SMILES | C=CCOc1cccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 |
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| InChIKey | SQBRTVJEQKRUFT-UHFFFAOYSA-N |
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| PubChem CID | 5259358 |
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| DTXSID | DTXSID50413883 |
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Chemical & Physical Properties
| XLogP | 8.2 |
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| Topological polar surface area | 169 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 45 |
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| Formal charge | 0 |
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| Complexity | 1,130 |
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![1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one molecular structure](/img/chemical/5259358.png)