HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86756459Generated: October 26, 2026
2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide
https://huagongshe.com/en/chemical/86756459
Identifiers & Physical Properties
| Molecular formula | C25H31N5O4S2 |
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| Average molar mass | 529.7 g/mol |
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| Monoisotopic mass | 529.18174683 g/mol |
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| SMILES | CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)N2CCOc3ccccc3C2)CC1 |
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| InChIKey | WZVZLGPJGQFXAL-UHFFFAOYSA-N |
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| PubChem CID | 86756459 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 154 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 863 |
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![2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide molecular structure](/img/chemical/86756459.png)