SMILES:
CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2cc(Br)cc(Br)c2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C22H20Br2N2O3
Molecular weight
520.22
Exact mass
517.9841
XLogP
4.52
TPSA
71.93
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
120.99
Supplementary Information
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