HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67166311Generated: October 29, 2026
Ethyl 4-((1E,4E)-2-(tert-butoxycarbonylamino)-4-((3-fluoropropyl)(propyl)carbamoyl)-3H-benzo[b]azepin-8-yl)benzoate
https://huagongshe.com/en/chemical/67166311
Identifiers & Physical Properties
| Molecular formula | C31H38FN3O5 |
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| Average molar mass | 551.6 g/mol |
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| Monoisotopic mass | 551.27954948 g/mol |
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| SMILES | CCCN(CCCF)C(=O)C1=Cc2ccc(-c3ccc(C(=O)OCC)cc3)cc2N=C(NC(=O)OC(C)(C)C)C1 |
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| InChIKey | MZWNPDWQWPLNER-UHFFFAOYSA-N |
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| PubChem CID | 67166311 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 97.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 40 |
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| Formal charge | 0 |
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| Complexity | 936 |
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![Ethyl 4-((1E,4E)-2-(tert-butoxycarbonylamino)-4-((3-fluoropropyl)(propyl)carbamoyl)-3H-benzo[b]azepin-8-yl)benzoate molecular structure](/img/chemical/67166311.png)