CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2N)cc1
SMILES: CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2N)cc1

Molecular Processing

Molecular formula
C18H21BrN2O4S
Molecular weight
441.35
Exact mass
440.0405
XLogP
3.47
TPSA
98.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
104.19

Supplementary Information

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