SMILES:
C=C(C)C(C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccccc1Molecular Processing
Molecular formula
C30H27BrN2O8S2
Molecular weight
687.59
Exact mass
686.0392
XLogP
3.97
TPSA
136.15
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
163.75
Supplementary Information
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