HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 145632905Generated: November 3, 2026
Ethyl 4-(methylidene-lambda3-bromanyl)-5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
https://huagongshe.com/en/chemical/145632905
Identifiers & Physical Properties
| Molecular formula | C23H18BrF3N4O4S2 |
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| Average molar mass | 615.4 g/mol |
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| SMILES | CCOC(=O)C1=NN(C(=C1Br=C)C2=NN=C(S2)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=CC=C4C(F)(F)F |
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| InChIKey | IMKYKUWBLDKPKV-UHFFFAOYSA-N |
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| PubChem CID | 145632905 |
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Chemical & Physical Properties
| XLogP | 5.7 |
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| Topological polar surface area | 141 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 938 |
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![Ethyl 4-(methylidene-lambda3-bromanyl)-5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate molecular structure](/img/chemical/145632905.png)