이름: methyl 3,5-difluoro-4-(((2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)amino)methyl)benzoate
SMILES:
CC(C)NC(=O)Cn1cc(Nc2nccc(NCc3c(F)cc(C#N)cc3F)n2)cn1Molecular Processing
Molecular formula
C20H20F2N8O
Molecular weight
426.43
Exact mass
426.1728
XLogP
2.7
TPSA
120.55
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
109.22
Supplementary Information
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