HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86636933Generated: October 31, 2026
tris(1,1-dimethylethyl)2-{2-chloro-6-[(2R)-2,4-dimethyl-1-piperazinyl]-5-fluoro-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate
https://huagongshe.com/en/chemical/86636933
Identifiers & Physical Properties
| Molecular formula | C25H40ClFN6O6 |
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| Average molar mass | 575.1 g/mol |
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| Monoisotopic mass | 574.2681889 g/mol |
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| SMILES | C[C@@H]1CN(C)CCN1c1nc(Cl)nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1F |
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| InChIKey | UIXRRBSSQBXGLK-OAHLLOKOSA-N |
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| PubChem CID | 86636933 |
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Chemical & Physical Properties
| XLogP | 5.3 |
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| Topological polar surface area | 118 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 864 |
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![tris(1,1-dimethylethyl)2-{2-chloro-6-[(2R)-2,4-dimethyl-1-piperazinyl]-5-fluoro-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate molecular structure](/img/chemical/86636933.png)