Name: 2-butyl-1-[(2'-cyanobiphenyl-4-yl)methyl]-7-hydroxymethylbenzimidazole
SMILES:
CCCCc1nc2cccc(CO)c2n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C26H25N3O
Molecular weight
395.51
Exact mass
395.1998
XLogP
5.46
TPSA
61.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
119.96
Supplementary Information
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