SMILES:
O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1cccc(F)c1Molecular Processing
Molecular formula
C21H16F2N2O3S
Molecular weight
414.43
Exact mass
414.085
XLogP
4.45
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
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
0.095
Molar refractivity
105.51
Supplementary Information
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