SMILES:
Cc1cccc(CSc2nc(NC(C)(C)CO)cc(NS(C)(=O)=O)n2)c1FMolecular Processing
Molecular formula
C17H23FN4O3S2
Molecular weight
414.53
Exact mass
414.1196
XLogP
2.77
TPSA
104.21
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
105.98
Supplementary Information
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