Name: 4-Amino-6-{4-[1-(2-cyclopentylamino-ethyl)-4-(4-fluoro-3-methyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
SMILES:
Cc1cc(-c2cn(CCNC3CCCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1FMolecular Processing
Molecular formula
C27H33FN8
Molecular weight
488.62
Exact mass
488.2812
XLogP
4.16
TPSA
108.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
36
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
0.481
Molar refractivity
137.96
Supplementary Information
Details werden geladen…
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