HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22645708Generated: October 30, 2026
2-[4-(allyloxycarbonyl)amino-3-fluorophenyl]-7-[(allyloxycarbonyl)oxy]methyl-5-(dimethylamino)acetamido-6,8-difluoro-4H-1-benzopyran-4-one
https://huagongshe.com/en/chemical/22645708
Identifiers & Physical Properties
| Molecular formula | C28H26F3N3O8 |
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| Average molar mass | 589.5 g/mol |
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| Monoisotopic mass | 589.16719928 g/mol |
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| SMILES | C=CCOC(=O)Nc1ccc(-c2cc(=O)c3c(NC(=O)CN(C)C)c(F)c(COC(=O)OCC=C)c(F)c3o2)cc1F |
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| InChIKey | VVPMSLSHSUZAPY-UHFFFAOYSA-N |
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| PubChem CID | 22645708 |
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Chemical & Physical Properties
| XLogP | 4.2 |
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| Topological polar surface area | 133 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 12 |
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| Rotatable bonds | 14 |
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| Heavy atoms | 42 |
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| Formal charge | 0 |
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| Complexity | 1,060 |
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![2-[4-(allyloxycarbonyl)amino-3-fluorophenyl]-7-[(allyloxycarbonyl)oxy]methyl-5-(dimethylamino)acetamido-6,8-difluoro-4H-1-benzopyran-4-one molecular structure](/img/chemical/22645708.png)