SMILES:
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2c1CC(=O)N2Molecular Processing
Molecular formula
C16H16F2N4O2S
Molecular weight
366.39
Exact mass
366.0962
XLogP
2.33
TPSA
87.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
90.46
Supplementary Information
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