HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123749611Generated: October 27, 2026
(S)-Methyl 2-(6-(4-(3-(3,4-difluorophenyl)ureido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoate
https://huagongshe.com/en/chemical/123749611
Identifiers & Physical Properties
| Molecular formula | C27H25F2N3O4 |
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| Average molar mass | 493.5 g/mol |
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| SMILES | COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)cc2C1=O |
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| InChIKey | SKGMXSIQBVFINK-DEOSSOPVSA-N |
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| PubChem CID | 123749611 |
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Chemical & Physical Properties
| XLogP | 4.6 |
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| Topological polar surface area | 87.7 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 804 |
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