HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86595044Generated: October 23, 2026
tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-pyridin-4-ylazepan-3-ylcarbamate
https://huagongshe.com/en/chemical/86595044
Identifiers & Physical Properties
| Molecular formula | C22H25F2N3O3 |
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| Average molar mass | 417.4 g/mol |
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| SMILES | CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(c2ccncc2)C1=O |
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| InChIKey | OLOLXYSAGQEVSM-RDTXWAMCSA-N |
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| PubChem CID | 86595044 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 71.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 607 |
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