Basic information
- Standard SMILES
C=Cc1c(C)nc(CCCC)n(Cc2ccc(-c3ccccc3C#N)cc2)c1=O- InChIKey
DJDUOFKTHBZQGF-UHFFFAOYSA-N- Molecular formula
- C25H25N3O
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.19976243
Names & identifiers
- Preferred name
- 4'-[(2-butyl-4-methyl-6-oxo-5-vinylpyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[(2-butyl-5-ethenyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1891530DJDUOFKTHBZQGF-UHFFFAOYSA-N4'-[(2-butyl-4-methyl-6-oxo-5-vinylpyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 57460971
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 718
Related reactions
6 records
Compound notes
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