SMILES:
COc1cc(Nc2nc(COCC(F)(F)F)c(C)c(C(C)(C)O)n2)ccc1-n1cnc(C)c1Molecular Processing
Molecular formula
C22H26F3N5O3
Molecular weight
465.48
Exact mass
465.1988
XLogP
4.34
TPSA
94.32
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
115.86
Supplementary Information
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