名称: 2-hydroxy-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3nc(O)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1Molecular Processing
Molecular formula
C20H12F3N5O3S
Molecular weight
459.41
Exact mass
459.0613
XLogP
3.63
TPSA
121.76
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
105.9
Supplementary Information
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