Basic information
- Standard SMILES
CCCCc1nc(CC)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F- InChIKey
SVIKLFOHPSGCIS-UHFFFAOYSA-N- Molecular formula
- C24H24FN3O
- Average molar mass
- 389.5 g/mol
Names & identifiers
- Preferred name
- 4'-[(4-Butyl-2-ethyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile
- IUPAC
- 2-[4-[(4-butyl-2-ethyl-6-oxo-1H-pyrimidin-5-yl)methyl]-3-fluorophenyl]benzonitrile
Names & synonyms
SCHEMBL12348684SVIKLFOHPSGCIS-UHFFFAOYSA-N4'-[(4-butyl-2-ethyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 136026909
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 704
Related reactions
5 records
Compound notes
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