CCCCCCCCCCCCCCCCC(S)C(=O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)C(O)(Cc2ccccc2)C1OCc1ccccc1
SMILES: CCCCCCCCCCCCCCCCC(S)C(=O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)C(O)(Cc2ccccc2)C1OCc1ccccc1

Molecular Processing

Molecular formula
C41H57BrN2O7S
Molecular weight
801.88
Exact mass
800.307
XLogP
8.47
TPSA
119.85
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
24
Heavy atoms
52
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.585
Molar refractivity
211.71

Supplementary Information

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