COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nc4ccc(OC)cc4[nH]3)C(=O)O)cc2)cc1
SMILES: COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nc4ccc(OC)cc4[nH]3)C(=O)O)cc2)cc1

Molecular Processing

Molecular formula
C26H27N3O7S2
Molecular weight
557.65
Exact mass
557.129
XLogP
3.52
TPSA
150.84
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
144.17

Supplementary Information

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