SMILES:
CC(=O)N1CCSC1c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12Molecular Processing
Molecular formula
C18H15F3N4O3S2
Molecular weight
456.47
Exact mass
456.0538
XLogP
2.76
TPSA
77.2
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
108.05
Supplementary Information
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