Name: ethyl-1-[(2′-cyanobiphenyl-4-yl)methyl]-2-methoxybenzimidazole-7-carboxylate
SMILES:
CCOC(=O)c1cccc2nc(OC)n(Cc3ccc(-c4ccccc4C#N)cc3)c12Molecular Processing
Molecular formula
C25H21N3O3
Molecular weight
411.46
Exact mass
411.1583
XLogP
4.81
TPSA
77.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
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
0.16
Molar refractivity
117.94
Supplementary Information
Details werden geladen…
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