Basic information
- Standard SMILES
CCCCc1nc(C)n(Cc2csc(-c3ccccc3)n2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
WKRDIKJPWNUWAC-UHFFFAOYSA-N- Molecular formula
- C33H30N4OS
- Average molar mass
- 530.7 g/mol
Names & identifiers
- Preferred name
- 4'-({4-Butyl-2-methyl-6-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[4-butyl-2-methyl-6-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1890921WKRDIKJPWNUWAC-UHFFFAOYSA-N4'-({4-butyl-2-methyl-6-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 57460469
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 952
Related reactions
5 records
Compound notes
Loading…