HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12374630Generated: November 4, 2026
7-Trifluoromethyl-8-chloro-10-(4-methylpiperazino)dibenzo(b,f)thiepine
https://huagongshe.com/en/chemical/12374630
Identifiers & Physical Properties
| Molecular formula | C20H18ClF3N2S |
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| Average molar mass | 410.9 g/mol |
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| Monoisotopic mass | 410.0831319 g/mol |
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| SMILES | CN1CCN(C2=Cc3ccccc3Sc3cc(C(F)(F)F)c(Cl)cc32)CC1 |
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| InChIKey | PTCLUJFAWORACI-UHFFFAOYSA-N |
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| PubChem CID | 12374630 |
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Chemical & Physical Properties
| XLogP | 5.6 |
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| Topological polar surface area | 31.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 562 |
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