HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67010013Generated: October 27, 2026
ethyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]butanoate
https://huagongshe.com/en/chemical/67010013
Identifiers & Physical Properties
| Molecular formula | C34H38FN5O4 |
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| Average molar mass | 599.7 g/mol |
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| Monoisotopic mass | 599.29078287 g/mol |
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| SMILES | CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(OC(CC)C(=O)OCC)CC2)c2ncnn12 |
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| InChIKey | UVVSWJHZOMHEOB-UHFFFAOYSA-N |
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| PubChem CID | 67010013 |
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Chemical & Physical Properties
| XLogP | 6.6 |
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| Topological polar surface area | 110 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 44 |
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| Formal charge | 0 |
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| Complexity | 1,080 |
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![ethyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]butanoate molecular structure](/img/chemical/67010013.png)