HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11621237Generated: October 26, 2026
Methyl [4-({{4-[(4-butylphenyl)ethynyl]benzyl}[(4-cyanoanilino)-carbonyl]amino}methyl)phenoxy]acetate
https://huagongshe.com/en/chemical/11621237
Identifiers & Physical Properties
| Molecular formula | C37H35N3O4 |
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| Average molar mass | 585.7 g/mol |
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| SMILES | CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)OC)cc3)C(=O)Nc3ccc(C#N)cc3)cc2)cc1 |
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| InChIKey | BESAFTAELAWWHJ-UHFFFAOYSA-N |
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| PubChem CID | 11621237 |
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Chemical & Physical Properties
| XLogP | 7.6 |
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| Topological polar surface area | 91.7 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 14 |
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| Heavy atoms | 44 |
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| Formal charge | 0 |
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| Complexity | 992 |
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![Methyl [4-({{4-[(4-butylphenyl)ethynyl]benzyl}[(4-cyanoanilino)-carbonyl]amino}methyl)phenoxy]acetate molecular structure](/img/chemical/11621237.png)