Name: 2-butyl-4-chloro-5-formyl-1-(2'-cyanobiphenyl-4-yl)methylimidazole
SMILES:
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C22H20ClN3O
Molecular weight
377.88
Exact mass
377.1295
XLogP
5.28
TPSA
58.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
106.93
Supplementary Information
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