이름: 5-(4-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
SMILES:
Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1Molecular Processing
Molecular formula
C26H23F5N6
Molecular weight
514.5
Exact mass
514.1904
XLogP
5.81
TPSA
72.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
129.63
Supplementary Information
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