SMILES:
COCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1CCCFMolecular Processing
Molecular formula
C21H25F4N5OS
Molecular weight
471.52
Exact mass
471.1716
XLogP
4.68
TPSA
52.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
117.06
Supplementary Information
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