COc1c(NC(=O)Nc2ccc(Oc3cc(C)nc(C(C)C)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O
SMILES: COc1c(NC(=O)Nc2ccc(Oc3cc(C)nc(C(C)C)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

Molecular Processing

Molecular formula
C31H37N5O5S
Molecular weight
591.73
Exact mass
591.2515
XLogP
7.18
TPSA
131.54
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
167.68

Supplementary Information

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