CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CNC(=O)OC(C)(C)C
SMILES: CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CNC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C24H31BrN2O5S
Molecular weight
539.49
Exact mass
538.1137
XLogP
5.23
TPSA
101.57
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
132.95

Supplementary Information

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