HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 76144708Generated: November 3, 2026
1-[2-[3-[2-(3-Cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2-ethylphenyl]ethyl]pyrrolidine-2-carboxylic acid
https://huagongshe.com/en/chemical/76144708
Identifiers & Physical Properties
| Molecular formula | C28H31N3O3S |
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| Average molar mass | 489.6 g/mol |
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| Monoisotopic mass | 489.20861303 g/mol |
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| SMILES | CCc1c(CCN2CCCC2C(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 |
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| InChIKey | KRTFMEWYPGXOBB-UHFFFAOYSA-N |
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| PubChem CID | 76144708 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 115 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 755 |
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![1-[2-[3-[2-(3-Cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2-ethylphenyl]ethyl]pyrrolidine-2-carboxylic acid molecular structure](/img/chemical/76144708.png)