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

HCID 57460469

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

Related reactions

5 records

Compound notes

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