Name: 4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-difluoromethoxy-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
SMILES:
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC(F)F)cc3)cn2CCN2CCC2)CC1Molecular Processing
Molecular formula
C25H28F2N8O
Molecular weight
494.55
Exact mass
494.2354
XLogP
3.49
TPSA
109.12
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
130.7
Supplementary Information
Details werden geladen…
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