SMILES:
O=S(=O)(c1ccc(Nc2ncnc3c2CCN(Cc2ccccc2)C3)cc1)C(F)(F)FMolecular Processing
Molecular formula
C21H19F3N4O2S
Molecular weight
448.47
Exact mass
448.1181
XLogP
4.07
TPSA
75.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
109.26
Supplementary Information
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