HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2492495Generated: November 1, 2026
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxy-4-methylphenyl)propanamide
https://huagongshe.com/en/chemical/2492495
Identifiers & Physical Properties
| CAS No. | 786728-37-8 |
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| Molecular formula | C17H16N2O2S |
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| Average molar mass | 312.4 g/mol |
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| Monoisotopic mass | 312.09324893 g/mol |
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| SMILES | Cc1ccc(NC(=O)CCc2nc3ccccc3s2)c(O)c1 |
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| InChIKey | NFSCEMOTSHOUBF-UHFFFAOYSA-N |
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| PubChem CID | 2492495 |
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| ChEMBL | CHEMBL1366337 |
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| DTXSID | DTXSID601322481 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 90.5 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 393 |
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| Solubility | 8.9 [ug/mL] (The mean of the results at pH 7.4) |
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