HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53917543Generated: October 31, 2026
2-[6-Oxo-6-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]hexyl]sulfanylethyl acetate
https://huagongshe.com/en/chemical/53917543
Identifiers & Physical Properties
| Molecular formula | C25H39N3O4S |
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| Average molar mass | 477.7 g/mol |
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| Monoisotopic mass | 477.26612791 g/mol |
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| SMILES | CC(=O)OCCSCCCCCC(=O)NCC=CCOc1cc(CN2CCCCC2)ccn1 |
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| InChIKey | IICDKBTZGQOHMX-UHFFFAOYSA-N |
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| PubChem CID | 53917543 |
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Chemical & Physical Properties
| XLogP | 3 |
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| Topological polar surface area | 106 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 570 |
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![2-[6-Oxo-6-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]hexyl]sulfanylethyl acetate molecular structure](/img/chemical/53917543.png)