이름: 6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluoro-3-methyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-bromo-pyrimidin-4-ylamine
SMILES:
Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccc1FMolecular Processing
Molecular formula
C24H29BrFN7
Molecular weight
514.45
Exact mass
513.1652
XLogP
4.22
TPSA
76.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
131.75
Supplementary Information
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