HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11762165Generated: October 31, 2026
[3-Oxo-8-[3-(pyridin-2-ylamino)-propoxy]-2-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl]-acetic acid
https://huagongshe.com/en/chemical/11762165
Identifiers & Physical Properties
| Molecular formula | C22H24F3N3O4 |
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| Average molar mass | 451.4 g/mol |
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| SMILES | O=C(O)C[C@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O |
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| InChIKey | PVDGZHKJXXVONO-MRXNPFEDSA-N |
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| PubChem CID | 11762165 |
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| ChEMBL | CHEMBL86991 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 91.8 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 634 |
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![[3-Oxo-8-[3-(pyridin-2-ylamino)-propoxy]-2-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl]-acetic acid molecular structure](/img/chemical/11762165.png)