HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 87479211Generated: November 4, 2026
Methanesulfonic acid 3-(4-cyano-3-trifluoromethyl-phenoxy)-3-(2,4-dimethoxy-benzylcarbamoyl)-2,2-dimethyl-propyl ester
https://huagongshe.com/en/chemical/87479211
Identifiers & Physical Properties
| Molecular formula | C24H27F3N2O7S |
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| Average molar mass | 544.5 g/mol |
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| Monoisotopic mass | 544.14910686 g/mol |
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| SMILES | COc1ccc(CNC(=O)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)COS(C)(=O)=O)c(OC)c1 |
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| InChIKey | NTWPBUZLYCPTCN-UHFFFAOYSA-N |
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| PubChem CID | 87479211 |
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Chemical & Physical Properties
| XLogP | 3.9 |
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| Topological polar surface area | 132 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 914 |
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