Nom: 2-[[(3,5-dimethyl-2-pyridyl)methyl]sulphinyl]-5 -(trifluoromethyl)benzimidazole
SMILES:
Cc1cnc(CS(=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1Molecular Processing
Molecular formula
C16H14F3N3OS
Molecular weight
353.37
Exact mass
353.081
XLogP
3.9
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.92
Supplementary Information
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