CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)NC(Cc2ccc(-c3ccccc3Oc3ccccc3)cc2)C(=O)O)cc1
SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)NC(Cc2ccc(-c3ccccc3Oc3ccccc3)cc2)C(=O)O)cc1

Molecular Processing

Molecular formula
C38H35BrN2O6S
Molecular weight
727.68
Exact mass
726.1399
XLogP
8.43
TPSA
121.8
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
48
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
191.08

Supplementary Information

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