SMILES:
COc1cccc2c1C(NC1=Nc3ccc(Nc4cccc(C(F)(F)F)n4)cc3CO1)CC2Molecular Processing
Molecular formula
C24H21F3N4O2
Molecular weight
454.45
Exact mass
454.1617
XLogP
5.65
TPSA
67.77
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
118.04
Supplementary Information
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