HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86754336Generated: October 27, 2026
4-[2-(Pyrimidin-2-ylamino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine trifluoroacetate
https://huagongshe.com/en/chemical/86754336
Identifiers & Physical Properties
| Molecular formula | C24H24F3N5O8S |
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| Average molar mass | 599.5 g/mol |
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| Monoisotopic mass | 599.1297684 g/mol |
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| SMILES | O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCNc2ncccn2)cc1.O=C(O)C(F)(F)F |
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| InChIKey | QCRFLNDWQGSNKE-FYZYNONXSA-N |
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| PubChem CID | 86754336 |
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Chemical & Physical Properties
| Topological polar surface area | 205 |
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| Hydrogen bond donors | 5 |
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| Hydrogen bond acceptors | 15 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 825 |
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![4-[2-(Pyrimidin-2-ylamino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine trifluoroacetate molecular structure](/img/chemical/86754336.png)