Basic information
- Standard SMILES
CCOc1nc(C)c(-c2ccc3c(c2)CC(C)O3)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
YCZWJTPYZWNXKA-UHFFFAOYSA-N- Molecular formula
- C30H27N3O3
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.20524173
Names & identifiers
- Preferred name
- 4'-{[2-ethoxy-4-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxopyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[2-ethoxy-4-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxopyrimidin-1-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1886815YCZWJTPYZWNXKA-UHFFFAOYSA-N4'-{[2-ethoxy-4-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxopyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 57460102
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 925
Related reactions
5 records
Compound notes
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