HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259347Generated: November 2, 2026
1-(5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
https://huagongshe.com/en/chemical/5259347
Identifiers & Physical Properties
| CAS No. | 7050-76-2 |
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| Molecular formula | C35H31Cl2N3O7S2 |
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| Average molar mass | 740.7 g/mol |
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| Monoisotopic mass | 739.0980481 g/mol |
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| SMILES | COc1cc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C |
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| InChIKey | JYZDXXGGRJGNQN-UHFFFAOYSA-N |
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| PubChem CID | 5259347 |
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| DTXSID | DTXSID90413882 |
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Chemical & Physical Properties
| XLogP | 9.3 |
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| Topological polar surface area | 178 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 49 |
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| Formal charge | 0 |
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| Complexity | 1,200 |
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![1-(5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one molecular structure](/img/chemical/5259347.png)