HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86584977Generated: October 23, 2026
3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
https://huagongshe.com/en/chemical/86584977
Identifiers & Physical Properties
| Molecular formula | C25H36N4O4 |
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| Average molar mass | 456.6 g/mol |
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| SMILES | CC(C)CN1C(=O)C(N)(C(=O)[C@H](C)NC(=O)CC2CC2)C(=O)N(CC(C)C)c2ccccc21 |
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| InChIKey | LZGZLSXIFIHJTB-KRWDZBQOSA-N |
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| PubChem CID | 86584977 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 113 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 738 |
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![3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine molecular structure](/img/chemical/86584977.png)