HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66820522Generated: October 26, 2026
6-(4-{5-[(4-Fluorophenyl)methyl]pyrimidin-4-yl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-2,3-diamine
https://huagongshe.com/en/chemical/66820522
Identifiers & Physical Properties
| Molecular formula | C25H23FN6O |
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| Average molar mass | 442.5 g/mol |
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| Monoisotopic mass | 442.19173754 g/mol |
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| SMILES | Nc1ccc(-c2ccc3c(c2)CN(c2ncncc2Cc2ccc(F)cc2)CCO3)nc1N |
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| InChIKey | PGMWESIZYCNDSB-UHFFFAOYSA-N |
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| PubChem CID | 66820522 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 103 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 620 |
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![6-(4-{5-[(4-Fluorophenyl)methyl]pyrimidin-4-yl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)pyridine-2,3-diamine molecular structure](/img/chemical/66820522.png)