Name: 4-Amino-6-{4-[1-(2-cyclopentylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
SMILES:
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCNC2CCCC2)CC1Molecular Processing
Molecular formula
C27H30F4N8
Molecular weight
542.59
Exact mass
542.253
XLogP
4.87
TPSA
108.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
138.23
Supplementary Information
Details werden geladen…
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