HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66713420Generated: October 23, 2026
5-Benzyloxy-2-[(4-benzyloxy-phenyl)-(4-fluoro-phenylamino)-methyl]-5-(4-fluoro-phenyl)-pentanoic acid methyl ester
https://huagongshe.com/en/chemical/66713420
Identifiers & Physical Properties
| Molecular formula | C39H37F2NO4 |
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| Average molar mass | 621.7 g/mol |
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| SMILES | COC(=O)C(CCC(OCc1ccccc1)c1ccc(F)cc1)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 |
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| InChIKey | KNMUFPPLCZMDRM-UHFFFAOYSA-N |
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| PubChem CID | 66713420 |
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Chemical & Physical Properties
| XLogP | 9.1 |
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| Topological polar surface area | 56.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 16 |
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| Heavy atoms | 46 |
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| Formal charge | 0 |
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| Complexity | 841 |
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![5-Benzyloxy-2-[(4-benzyloxy-phenyl)-(4-fluoro-phenylamino)-methyl]-5-(4-fluoro-phenyl)-pentanoic acid methyl ester molecular structure](/img/chemical/66713420.png)