SMILES:
CC(=O)Nc1ccc(Sc2ccc(OCc3cccc(Br)c3)cc2N)cc1Molecular Processing
Molecular formula
C21H19BrN2O2S
Molecular weight
443.37
Exact mass
442.0351
XLogP
5.72
TPSA
64.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
114.2
Supplementary Information
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