COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc(-c3nnn[nH]3)cc2OCCO)c1
SMILES: COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc(-c3nnn[nH]3)cc2OCCO)c1

Molecular Processing

Molecular formula
C26H29N5O6S
Molecular weight
539.61
Exact mass
539.1839
XLogP
4.14
TPSA
148.55
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
141.21

Supplementary Information

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