HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10072613Generated: October 26, 2026
3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-pyrrolidin-1-yl-propyl)-ureido]-isothiazole-4-carboxylic acid amide
https://huagongshe.com/en/chemical/10072613
Identifiers & Physical Properties
| Molecular formula | C20H25F2N5O3S |
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| Average molar mass | 453.5 g/mol |
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| SMILES | Cc1cc(F)c(COc2nsc(NC(=O)NCCCN3CCCC3)c2C(N)=O)c(F)c1 |
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| InChIKey | QYQQDBQNTUOFJL-UHFFFAOYSA-N |
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| PubChem CID | 10072613 |
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Chemical & Physical Properties
| XLogP | 3 |
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| Topological polar surface area | 138 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 601 |
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![3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-pyrrolidin-1-yl-propyl)-ureido]-isothiazole-4-carboxylic acid amide molecular structure](/img/chemical/10072613.png)