HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775559Generated: October 27, 2026
2-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}-5-({[1-methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)benzonitrile
https://huagongshe.com/en/chemical/67775559
Identifiers & Physical Properties
| Molecular formula | C25H17ClF3N5O2S |
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| Average molar mass | 543.9 g/mol |
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| SMILES | Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C#N)c1 |
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| InChIKey | XABZDKFUMHKUEY-UHFFFAOYSA-N |
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| PubChem CID | 67775559 |
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Chemical & Physical Properties
| XLogP | 4.9 |
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| Topological polar surface area | 117 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 933 |
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![2-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}-5-({[1-methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)benzonitrile molecular structure](/img/chemical/67775559.png)