Basic information
- Standard SMILES
O=C1CC(c2cccc(-c3cncnc3)c2)=Nc2ccc(Cl)cc2N1- InChIKey
XQCGTWOYOAGAPF-UHFFFAOYSA-N- Molecular formula
- C19H13ClN4O
- Average molar mass
- 348.8 g/mol
Names & identifiers
- Preferred name
- 8-Chloro-4-(3-pyrimidin-5-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 8-chloro-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
SCHEMBL5557486XQCGTWOYOAGAPF-UHFFFAOYSA-N8-Chloro-4-(3-pyrimidin-5-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 22317841
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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