SMILES:
CCCCC1(CCCC)CS(=O)(=O)c2cc(OC)c(Br)cc2N(c2ccc(Cl)cc2)C1=OMolecular Processing
Molecular formula
C24H29BrClNO4S
Molecular weight
542.92
Exact mass
541.0689
XLogP
6.93
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
132.83
Supplementary Information
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