Name: 4-[2-(4-chloro-2-hydroxy-phenyl)-5,6-difluoro-benzoimidazol-1-ylmethyl]-3-fluoro-benzonitrile
SMILES:
N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3O)nc3cc(F)c(F)cc32)c(F)c1Molecular Processing
Molecular formula
C21H11ClF3N3O
Molecular weight
413.79
Exact mass
413.0543
XLogP
5.4
TPSA
61.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
101.98
Supplementary Information
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