Basic information
- Standard SMILES
CCCCc1nc(C)n(-c2ccc3c(c2)CC(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
CYZUOHPDTGNKQP-UHFFFAOYSA-N- Molecular formula
- C32H31N3O2
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.24162724
Names & identifiers
- Preferred name
- 4'-{[4-Butyl-2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[4-butyl-2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1896612CYZUOHPDTGNKQP-UHFFFAOYSA-N4'-{[4-butyl-2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 57460596
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 937
Related reactions
5 records
Compound notes
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