NS(=O)(=O)c1ccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1
SMILES: NS(=O)(=O)c1ccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1

Molecular Processing

Molecular formula
C19H17BrN4O5S
Molecular weight
493.34
Exact mass
492.0103
XLogP
1.62
TPSA
144.12
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
114.95

Supplementary Information

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