HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 87540407Generated: October 28, 2026
2-(4-{5-[(6,7-Dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl}-1,4-diazepan-1-yl)ethanaminium trifluoroacetate
https://huagongshe.com/en/chemical/87540407
Identifiers & Physical Properties
| Molecular formula | C24H25Cl2F4N5O4 |
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| Average molar mass | 594.4 g/mol |
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| Monoisotopic mass | 593.1219723 g/mol |
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| SMILES | O=C([O-])C(F)(F)F.[NH3+]CCN1CCCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 |
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| InChIKey | HEPQDUBINPZMPI-UHFFFAOYSA-N |
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| PubChem CID | 87540407 |
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Chemical & Physical Properties
| Topological polar surface area | 125 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 819 |
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![2-(4-{5-[(6,7-Dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl}-1,4-diazepan-1-yl)ethanaminium trifluoroacetate molecular structure](/img/chemical/87540407.png)