HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19081333Generated: October 26, 2026
N-[(3RS)-1-{(3-azabicyclo[3.2.2]non-3-yl)-carbonylmethyl}-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-trifluoromethylphenyl)urea
https://huagongshe.com/en/chemical/19081333
Identifiers & Physical Properties
| Molecular formula | C33H31F4N5O3 |
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| Average molar mass | 621.6 g/mol |
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| Monoisotopic mass | 621.23630252 g/mol |
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| SMILES | O=C(Nc1cccc(C(F)(F)F)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O |
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| InChIKey | BUHVDFIDSSPGLQ-UHFFFAOYSA-N |
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| PubChem CID | 19081333 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 94.1 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 45 |
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| Formal charge | 0 |
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| Complexity | 1,110 |
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![N-[(3RS)-1-{(3-azabicyclo[3.2.2]non-3-yl)-carbonylmethyl}-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-trifluoromethylphenyl)urea molecular structure](/img/chemical/19081333.png)