Basic information
- Standard SMILES
Cc1ccc(-c2cccc(C3=Nc4ccc(F)cc4NC(=O)C3)c2)cn1- InChIKey
XHIWPUDLLBNGHO-UHFFFAOYSA-N- Molecular formula
- C21H16FN3O
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- 8-Fluoro-4-[3-(6-methyl-pyridin-3-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 8-fluoro-4-[3-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
SCHEMBL5562299XHIWPUDLLBNGHO-UHFFFAOYSA-N8-Fluoro-4-[3-(6-methyl-pyridin-3-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 22317818
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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