名称: 4-[3-(4-Benzyloxy-2-fluoro-phenyl)-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-4-yl]-pyridine
SMILES:
Fc1cc(OCc2ccccc2)ccc1-c1nn(CC(F)(F)F)cc1-c1ccncc1Molecular Processing
Molecular formula
C23H17F4N3O
Molecular weight
427.4
Exact mass
427.1308
XLogP
5.89
TPSA
39.94
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
107.68
Supplementary Information
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