HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 59190886Generated: October 27, 2026
3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester
https://huagongshe.com/en/chemical/59190886
Identifiers & Physical Properties
| Molecular formula | C24H21N3O3 |
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| Average molar mass | 399.4 g/mol |
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| Monoisotopic mass | 399.15829154 g/mol |
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| SMILES | COC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)c1 |
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| InChIKey | HSEOVRZDUXVMBC-UHFFFAOYSA-N |
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| PubChem CID | 59190886 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 82.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 614 |
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![3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester molecular structure](/img/chemical/59190886.png)