SMILES:
CN(C)CCNC(=O)C=Cc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12Molecular Processing
Molecular formula
C21H21F3N4O
Molecular weight
402.42
Exact mass
402.1667
XLogP
3.74
TPSA
50.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
106.67
Supplementary Information
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