SMILES:
CC(C)Oc1c(C#N)cnc2ccc(C=C3NC(NCc4ccccc4C(F)(F)F)=NC3=O)nc12Molecular Processing
Molecular formula
C24H19F3N6O2
Molecular weight
480.45
Exact mass
480.1522
XLogP
3.92
TPSA
112.29
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
121.86
Supplementary Information
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