Cc1ccc(S(=O)(=O)NCC=Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cc1
SMILES: Cc1ccc(S(=O)(=O)NCC=Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cc1

Molecular Processing

Molecular formula
C28H31N3O5S
Molecular weight
521.64
Exact mass
521.1984
XLogP
5.59
TPSA
113.6
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
146.1

Supplementary Information

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