Nombre: 5-chloro-3-(5-fluoro-4-methylsulfinyl-pyrimidin-2-yl)-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(S(C)=O)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C19H14ClFN4O3S2
Molecular weight
464.93
Exact mass
464.018
XLogP
3.57
TPSA
94.81
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
111.82
Supplementary Information
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