Basic information
- Standard SMILES
CCCc1nc(CC)c(-c2ccc(OC(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
QLHBZNFPNLPTAH-UHFFFAOYSA-N- Molecular formula
- C32H33N3O2
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- 4'-{[4-ethyl-5-(4-isopropoxyphenyl)-6-oxo-2-propylpyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[4-ethyl-6-oxo-5-(4-propan-2-yloxyphenyl)-2-propylpyrimidin-1-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL4010303QLHBZNFPNLPTAH-UHFFFAOYSA-N4'-{[4-ethyl-5-(4-isopropoxyphenyl)-6-oxo-2-propylpyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 57460419
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 881
Related reactions
10 records
Compound notes
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