HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3059613Generated: November 4, 2026
Piperidine, 1-((4-((((4-bromophenyl)amino)thioxomethyl)amino)phenoxy)acetyl)-
https://huagongshe.com/en/chemical/3059613
Identifiers & Physical Properties
| CAS No. | 76870-12-7 |
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| Molecular formula | C20H22BrN3O2S |
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| Average molar mass | 448.4 g/mol |
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| Monoisotopic mass | 447.06161 g/mol |
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| SMILES | O=C(COc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)N1CCCCC1 |
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| InChIKey | LSIOAKSOHUVFLB-UHFFFAOYSA-N |
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| PubChem CID | 3059613 |
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| DTXSID | DTXSID20227671 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 85.7 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 486 |
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