HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57831237Generated: November 3, 2026
4-{[1-(4-Trifluoromethyl-benzyloxy)-naphthalene-2-carbonyl]-amino}-tetrahydro-thiopyran-4-carboxylic acid
https://huagongshe.com/en/chemical/57831237
Identifiers & Physical Properties
| CAS No. | 1000386-41-3 |
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| Molecular formula | C25H22F3NO4S |
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| Average molar mass | 489.5 g/mol |
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| Monoisotopic mass | 489.12216384 g/mol |
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| SMILES | O=C(NC1(C(=O)O)CCSCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1 |
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| InChIKey | LSZHPIMMBVRZTG-UHFFFAOYSA-N |
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| PubChem CID | 57831237 |
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| DTXSID | DTXSID701106250 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 101 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 34 |
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| Formal charge | 0 |
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| Complexity | 719 |
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![4-{[1-(4-Trifluoromethyl-benzyloxy)-naphthalene-2-carbonyl]-amino}-tetrahydro-thiopyran-4-carboxylic acid molecular structure](/img/chemical/57831237.png)