HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86629613Generated: November 2, 2026
7-chloro-6-[4-(1-methyl-1H-imidazol-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
https://huagongshe.com/en/chemical/86629613
Identifiers & Physical Properties
| Molecular formula | C23H22ClF3N4O |
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| Average molar mass | 462.9 g/mol |
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| SMILES | Cn1ccnc1-c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1 |
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| InChIKey | LLZFSPCRPHMUQS-UHFFFAOYSA-N |
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| PubChem CID | 86629613 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 50.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 643 |
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![7-chloro-6-[4-(1-methyl-1H-imidazol-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine molecular structure](/img/chemical/86629613.png)