HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178497608Generated: October 23, 2026
methyl 4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzoate
https://huagongshe.com/en/chemical/178497608
Identifiers & Physical Properties
| Molecular formula | C24H25F2N3O5S |
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| Average molar mass | 505.5 g/mol |
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| Monoisotopic mass | 505.1482984 g/mol |
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| SMILES | COC(=O)c1ccc(C2OCC(SC(C)C(O)(Cn3cncn3)c3ccc(F)cc3F)CO2)cc1 |
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| InChIKey | CSLHVNUZPWFMRC-UHFFFAOYSA-N |
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| PubChem CID | 18766322 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 121 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 696 |
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![methyl 4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzoate molecular structure](/img/chemical/178497608.png)