HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775404Generated: November 2, 2026
2-{[2-(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]thio}-1-methyl-5-(5-pyrimidinylmethyl)-4(1H)-pyrimidinone
https://huagongshe.com/en/chemical/67775404
Identifiers & Physical Properties
| Molecular formula | C25H20ClF3N4O2S |
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| Average molar mass | 533 g/mol |
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| SMILES | Cn1cc(Cc2cncnc2)c(=O)nc1SCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1 |
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| InChIKey | KHQGOQDTEOAEEK-UHFFFAOYSA-N |
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| PubChem CID | 67775404 |
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Chemical & Physical Properties
| XLogP | 5.6 |
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| Topological polar surface area | 93 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 814 |
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![2-{[2-(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]thio}-1-methyl-5-(5-pyrimidinylmethyl)-4(1H)-pyrimidinone molecular structure](/img/chemical/67775404.png)