SMILES:
CON=C(C(=O)CBr)C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=COS(=O)(=O)c3ccc(C)cc3)CSC12Molecular Processing
Molecular formula
C34H30BrN3O9S2
Molecular weight
768.66
Exact mass
767.0607
XLogP
4.17
TPSA
157.74
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.206
Molar refractivity
184.7
Supplementary Information
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