HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 475607Generated: November 4, 2026
6-Chloro-4-(3-ethyl-pent-2-enyl)-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
https://huagongshe.com/en/chemical/475607
Identifiers & Physical Properties
| CAS No. | 258849-82-0 |
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| Molecular formula | C17H23ClN2O |
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| Average molar mass | 306.8 g/mol |
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| Monoisotopic mass | 306.1498911 g/mol |
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| SMILES | CCC(=CCN1Cc2c(Cl)cccc2NC(=O)C1C)CC |
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| InChIKey | BGPQOGAUFFLWBP-UHFFFAOYSA-N |
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| PubChem CID | 475607 |
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| DTXSID | DTXSID30948769 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 32.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 390 |
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