HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19082247Generated: November 4, 2026
N-[2-(4-Methoxy-2-oxo-3H-1,3-benzothiazol-7-yl)-ethyl]-3-[2-oxo-2-(2-phenylethylamino)ethylthio]propanamide
https://huagongshe.com/en/chemical/19082247
Identifiers & Physical Properties
| Molecular formula | C23H27N3O4S2 |
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| Average molar mass | 473.6 g/mol |
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| Monoisotopic mass | 473.1442987 g/mol |
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| SMILES | COc1ccc(CCNC(=O)CCSCC(=O)NCCc2ccccc2)c2sc(=O)[nH]c12 |
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| InChIKey | HQAJTHLRZWDJAK-UHFFFAOYSA-N |
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| PubChem CID | 19082247 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 147 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 630 |
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![N-[2-(4-Methoxy-2-oxo-3H-1,3-benzothiazol-7-yl)-ethyl]-3-[2-oxo-2-(2-phenylethylamino)ethylthio]propanamide molecular structure](/img/chemical/19082247.png)