Name: ethyl 1-[(2′-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
SMILES:
CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4C#N)cc3)c12Molecular Processing
Molecular formula
C26H23N3O3
Molecular weight
425.49
Exact mass
425.1739
XLogP
5.2
TPSA
77.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
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
0.192
Molar refractivity
122.55
Supplementary Information
Details werden geladen…
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