SMILES:
CNC(=O)c1c(-c2ccc(C#N)cc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12Molecular Processing
Molecular formula
C19H16BrN3O4S
Molecular weight
462.33
Exact mass
461.0045
XLogP
3.49
TPSA
103.41
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
110.7
Supplementary Information
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