HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22317536Generated: October 26, 2026
7-Ethyl-4-(3-pyridin-3-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
https://huagongshe.com/en/chemical/22317536
Identifiers & Physical Properties
| Molecular formula | C23H18F3N3O |
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| Average molar mass | 409.4 g/mol |
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| Monoisotopic mass | 409.14019669 g/mol |
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| SMILES | CCc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2 |
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| InChIKey | ZDAHOPAZWJNMBF-UHFFFAOYSA-N |
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| PubChem CID | 22317536 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 54.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 650 |
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![7-Ethyl-4-(3-pyridin-3-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one molecular structure](/img/chemical/22317536.png)