Nombre: 2-[(5-chloro-2-{[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino}-4-pyridinyl)amino]benzoic acid
SMILES:
Cc1cc(Nc2cc(Nc3ccccc3C(=O)O)c(Cl)cn2)n(C(C)C)n1Molecular Processing
Molecular formula
C19H20ClN5O2
Molecular weight
385.86
Exact mass
385.1306
XLogP
5.01
TPSA
92.07
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
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
0.211
Molar refractivity
106.56
Supplementary Information
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