Название: 2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]-5-(trifluoromethyl)benzimidazole
SMILES:
COc1c(C)cnc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c1CMolecular Processing
Molecular formula
C17H16F3N3OS
Molecular weight
367.4
Exact mass
367.0966
XLogP
4.89
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
90.92
Supplementary Information
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