Name: methyl 1-[(2′-cyanobiphenyl-4-yl)methyl]-2-oxo-2,3-dihydrobenzimidazole-7-carboxylate
SMILES:
COC(=O)c1cccc2[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c12Molecular Processing
Molecular formula
C23H17N3O3
Molecular weight
383.41
Exact mass
383.127
XLogP
3.7
TPSA
87.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
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
0.087
Molar refractivity
109.59
Supplementary Information
Details werden geladen…
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