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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22317841Generated: October 27, 2026

8-Chloro-4-(3-pyrimidin-5-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

https://huagongshe.com/en/chemical/22317841

8-Chloro-4-(3-pyrimidin-5-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one molecular structure

Identifiers & Physical Properties

Molecular formulaC19H13ClN4O
Average molar mass348.8 g/mol
SMILESO=C1CC(c2cccc(-c3cncnc3)c2)=Nc2ccc(Cl)cc2N1
InChIKeyXQCGTWOYOAGAPF-UHFFFAOYSA-N
PubChem CID22317841

Chemical & Physical Properties

XLogP2.9
Topological polar surface area67.2
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds2
Heavy atoms25
Formal charge0
Complexity520