HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53675640Generated: November 2, 2026
cyclopropylmethyl (S)-12,12a-dihydro-8-iodo-9-oxo-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylate
https://huagongshe.com/en/chemical/53675640
Identifiers & Physical Properties
| Molecular formula | C18H16IN3O3 |
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| Average molar mass | 449.2 g/mol |
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| Monoisotopic mass | 449.02364 g/mol |
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| SMILES | O=C(OCC1CC1)c1ncn2c1[C@@H]1CCN1C(=O)c1c(I)cccc1-2 |
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| InChIKey | BCYXFNRZLWDWMJ-ZDUSSCGKSA-N |
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| PubChem CID | 53675640 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 64.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 584 |
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![cyclopropylmethyl (S)-12,12a-dihydro-8-iodo-9-oxo-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylate molecular structure](/img/chemical/53675640.png)