SMILES:
Nc1nc(-c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1Molecular Processing
Molecular formula
C22H23F3N4S
Molecular weight
432.52
Exact mass
432.1596
XLogP
4.78
TPSA
45.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
115.76
Supplementary Information
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