الاسم: 3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-5-(4-(piperidin-4-yl)phenyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine hydrochloride
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(C5CCNCC5)cc4)cnc32)cc1.ClMolecular Processing
Molecular formula
C35H33ClFN5O2S
Molecular weight
642.2
Exact mass
641.2028
XLogP
7.19
TPSA
81.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
45
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
177.75
Supplementary Information
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