名称: 3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-5-(4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(C5=CCN(C)CC5)cc4)cnc32)cc1Molecular Processing
Molecular formula
C36H32FN5O2S
Molecular weight
617.75
Exact mass
617.2261
XLogP
7.02
TPSA
73.02
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
45
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
175.75
Supplementary Information
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