HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86648564Generated: October 23, 2026
Ethyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(2-methylpropyl)amino]piperidin-1-yl)-1,3-benzothiazole-7-carboxylate
https://huagongshe.com/en/chemical/86648564
Identifiers & Physical Properties
| Molecular formula | C25H33ClN6O3S |
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| Average molar mass | 533.1 g/mol |
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| Monoisotopic mass | 532.2023378 g/mol |
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| SMILES | CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](NCC(C)C)C3)sc12 |
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| InChIKey | HJRPHGVMSLUVNT-PKOBYXMFSA-N |
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| PubChem CID | 86648564 |
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Chemical & Physical Properties
| XLogP | 5.5 |
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| Topological polar surface area | 140 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 763 |
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![Ethyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(2-methylpropyl)amino]piperidin-1-yl)-1,3-benzothiazole-7-carboxylate molecular structure](/img/chemical/86648564.png)