HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66976608Generated: October 23, 2026
N-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-3-(pyridin-2-yl)propanamide monohydrochloride
https://huagongshe.com/en/chemical/66976608
Identifiers & Physical Properties
| Molecular formula | C20H24Cl2FN3O2 |
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| Average molar mass | 428.3 g/mol |
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| SMILES | Cl.O=C(CCc1ccccn1)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |
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| InChIKey | DVCBOBDWLVGJTH-QNNMEKCMSA-N |
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| PubChem CID | 66976608 |
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Chemical & Physical Properties
| Topological polar surface area | 63.3 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 471 |
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![N-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-3-(pyridin-2-yl)propanamide monohydrochloride molecular structure](/img/chemical/66976608.png)