Nombre: 1-(2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-5-methyl-6-((2,2,2-trifluoroethoxy)methyl)pyrimidin-4-yl)ethanone
SMILES:
COc1cc(Nc2nc(COCC(F)(F)F)c(C)c(C(C)=O)n2)ccc1-n1cnc(C)c1Molecular Processing
Molecular formula
C21H22F3N5O3
Molecular weight
449.43
Exact mass
449.1675
XLogP
4.31
TPSA
91.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
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
0.333
Molar refractivity
110.62
Supplementary Information
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