SMILES:
C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccccc1Molecular Processing
Molecular formula
C29H28N2O7S2
Molecular weight
580.68
Exact mass
580.1338
XLogP
3.53
TPSA
119.08
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
150.56
Supplementary Information
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