Name: 4-benzoyl-1-[(2'-t-butoxycarbonylbiphenyl-4-yl)methyl]-2-butyl-5-cyanoimidazole
SMILES:
CCCCc1nc(C(=O)c2ccccc2)c(C#N)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C33H33N3O3
Molecular weight
519.65
Exact mass
519.2522
XLogP
7
TPSA
84.98
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
151.58
Supplementary Information
Details werden geladen…
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