HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19081322Generated: October 27, 2026
(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(imidazol-1-yl) carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one
https://huagongshe.com/en/chemical/19081322
Identifiers & Physical Properties
| Molecular formula | C29H29FN6O3 |
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| Average molar mass | 528.6 g/mol |
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| Monoisotopic mass | 528.22851697 g/mol |
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| SMILES | O=C(CN1C(=O)C(NC(=O)n2ccnc2)N=C(c2ccccc2F)c2ccccc21)N1CC2CCC(CC2)C1 |
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| InChIKey | DBMZKVWQSJYCOE-UHFFFAOYSA-N |
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| PubChem CID | 19081322 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 99.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 955 |
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![(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(imidazol-1-yl) carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one molecular structure](/img/chemical/19081322.png)