이름: N-{3-[2-(1,1-Dioxido-3,6-dihydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amine
SMILES:
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3=CCS(=O)(=O)CC3)s2)c1Molecular Processing
Molecular formula
C20H17F3N4O2S2
Molecular weight
466.51
Exact mass
466.0745
XLogP
4.87
TPSA
84.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
113.85
Supplementary Information
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