HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18317229Generated: October 23, 2026
Benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate
https://huagongshe.com/en/chemical/18317229
Identifiers & Physical Properties
| Molecular formula | C29H23N3O5 |
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| Average molar mass | 493.5 g/mol |
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| SMILES | O=C(CN1C(=O)C(NC(=O)c2nccc3ccccc23)CC(=O)c2ccccc21)OCc1ccccc1 |
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| InChIKey | XXEWJFQUUWJNQD-UHFFFAOYSA-N |
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| PubChem CID | 18317229 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 106 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 856 |
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![Benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate molecular structure](/img/chemical/18317229.png)