HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86629633Generated: October 27, 2026
6-[(benzothiazol-6-yl-methyl)-amino]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
https://huagongshe.com/en/chemical/86629633
Identifiers & Physical Properties
| Molecular formula | C20H17ClF3N3OS |
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| Average molar mass | 439.9 g/mol |
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| SMILES | O=C(N1CCc2ccc(Cl)c(NCc3ccc4ncsc4c3)c2CC1)C(F)(F)F |
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| InChIKey | JXAIZZIFFGIOGK-UHFFFAOYSA-N |
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| PubChem CID | 86629633 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 73.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 596 |
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![6-[(benzothiazol-6-yl-methyl)-amino]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine molecular structure](/img/chemical/86629633.png)