Name: ethyl 2-chloro-1-[(2′-cyanobiphenyl-4-yl)methyl]benzimidazole-7-carboxylate
SMILES:
CCOC(=O)c1cccc2nc(Cl)n(Cc3ccc(-c4ccccc4C#N)cc3)c12Molecular Processing
Molecular formula
C24H18ClN3O2
Molecular weight
415.88
Exact mass
415.1088
XLogP
5.45
TPSA
67.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
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
0.125
Molar refractivity
116.39
Supplementary Information
Details werden geladen…
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