HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006272Generated: November 3, 2026
1-(3-Benzyloxy-propyl)-4a-(4-chloro-benzenesulfonyl)-5,8-difluoro-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthrene
https://huagongshe.com/en/chemical/67006272
Identifiers & Physical Properties
| Molecular formula | C28H28ClF2NO4S |
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| Average molar mass | 548 g/mol |
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| Monoisotopic mass | 547.1395636 g/mol |
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| SMILES | O=S(=O)(c1ccc(Cl)cc1)C12CCCN(CCCOCc3ccccc3)C1COc1c(F)ccc(F)c12 |
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| InChIKey | QLTUGAFHIICQKY-UHFFFAOYSA-N |
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| PubChem CID | 67006272 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 64.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 846 |
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