HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123740372Generated: November 4, 2026
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[1-(2-cyanoacetyl)piperidine-4-carbonyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
https://huagongshe.com/en/chemical/123740372
Identifiers & Physical Properties
| Molecular formula | C30H30F7N5O3 |
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| Average molar mass | 641.6 g/mol |
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| Monoisotopic mass | 641.22368697 g/mol |
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| SMILES | CN(C(=O)N(C)C1CN(C(=O)C2CCN(C(=O)CC#N)CC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
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| InChIKey | WYRPZFYYOZWCTQ-UHFFFAOYSA-N |
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| PubChem CID | 123740372 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 88 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 45 |
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| Formal charge | 0 |
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| Complexity | 1,100 |
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![1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[1-(2-cyanoacetyl)piperidine-4-carbonyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea molecular structure](/img/chemical/123740372.png)