HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67005299Generated: October 25, 2026
N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(3-trifluoromethyl-phenyl)-acrylamide
https://huagongshe.com/en/chemical/67005299
Identifiers & Physical Properties
| Molecular formula | C42H46F3N3O2 |
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| Average molar mass | 681.8 g/mol |
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| Monoisotopic mass | 681.3542122 g/mol |
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| SMILES | CCCCCc1ccc(CN(C(=O)C=Cc2cccc(C(F)(F)F)c2)[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 |
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| InChIKey | APAXBWSXZKGFHV-KDXMTYKHSA-N |
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| PubChem CID | 67005299 |
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Chemical & Physical Properties
| XLogP | 9.4 |
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| Topological polar surface area | 43.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 14 |
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| Heavy atoms | 50 |
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| Formal charge | 0 |
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| Complexity | 1,040 |
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![N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(3-trifluoromethyl-phenyl)-acrylamide molecular structure](/img/chemical/67005299.png)