Name: 4'-[[2-n-butyl-4-methyl-6-(1-oxo-isoindolin-2-yl)-benzimidazol-1-yl]-methyl]-2-cyano-biphenyl
SMILES:
CCCCc1nc2c(C)cc(N3Cc4ccccc4C3=O)cc2n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C34H30N4O
Molecular weight
510.64
Exact mass
510.242
XLogP
7.43
TPSA
61.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
39
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.206
Molar refractivity
155.73
Supplementary Information
Details werden geladen…
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