CCOC(=O)COc1ccc(SCc2cc(Br)cc(OCC(C)C)c2)cc1C
SMILES: CCOC(=O)COc1ccc(SCc2cc(Br)cc(OCC(C)C)c2)cc1C

Molecular Processing

Molecular formula
C22H27BrO4S
Molecular weight
467.43
Exact mass
466.0813
XLogP
6.03
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
117.34

Supplementary Information

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