HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86629632Generated: October 27, 2026
6-[(benzofuran-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/86629632
Identifiers & Physical Properties
| Molecular formula | C21H18ClF3N2O2 |
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| Average molar mass | 422.8 g/mol |
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| Monoisotopic mass | 422.10089 g/mol |
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| SMILES | O=C(N1CCc2ccc(Cl)c(NCc3ccc4ccoc4c3)c2CC1)C(F)(F)F |
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| InChIKey | BCHSQXQNELFBOB-UHFFFAOYSA-N |
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| PubChem CID | 86629632 |
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Chemical & Physical Properties
| XLogP | 5.3 |
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| Topological polar surface area | 45.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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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 | 591 |
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![6-[(benzofuran-6-yl-methyl)-amino]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine molecular structure](/img/chemical/86629632.png)