이름: 6-chloro-2-(8-fluoro-2-methylquinolin-6-ylthio)-N-(3-methyl-1H-pyrazol-5-yl)pyrimidin-4-amine
SMILES:
Cc1cc(Nc2cc(Cl)nc(Sc3cc(F)c4nc(C)ccc4c3)n2)[nH]n1Molecular Processing
Molecular formula
C18H14ClFN6S
Molecular weight
400.87
Exact mass
400.0673
XLogP
5.05
TPSA
79.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
104.21
Supplementary Information
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