Basic information
- Standard SMILES
CCCCc1nc(C)n(Cc2cc(C)n(C)n2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
UEKQYLHPDRDNDQ-UHFFFAOYSA-N- Molecular formula
- C29H31N5O
- Average molar mass
- 465.6 g/mol
Names & identifiers
- Preferred name
- 4'-({4-butyl-1-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[4-butyl-1-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL12348607UEKQYLHPDRDNDQ-UHFFFAOYSA-N4'-({4-butyl-1-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 57460236
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 862
Related reactions
5 records
Linked notes
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