HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54021189Generated: October 26, 2026
3-Bromo-7-[(phenoxyacetyl)amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl)ester
https://huagongshe.com/en/chemical/54021189
Identifiers & Physical Properties
| Molecular formula | C29H25BrN2O5 |
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| Average molar mass | 561.4 g/mol |
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| SMILES | O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Br)CCC12 |
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| InChIKey | KZANJBNDFFBYLO-UHFFFAOYSA-N |
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| PubChem CID | 54021189 |
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Chemical & Physical Properties
| XLogP | 5.1 |
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| Topological polar surface area | 84.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 856 |
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![3-Bromo-7-[(phenoxyacetyl)amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl)ester molecular structure](/img/chemical/54021189.png)