SMILES:
Cc1noc(-c2ccc(Br)cc2)c1C(O)CSCc1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C20H17BrF3NO2S
Molecular weight
472.33
Exact mass
471.0115
XLogP
6.4
TPSA
46.26
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
106.94
Supplementary Information
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