COC(=O)C(C)(Cc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1)OC
SMILES: COC(=O)C(C)(Cc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1)OC

Molecular Processing

Molecular formula
C20H20BrN3O4S
Molecular weight
478.37
Exact mass
477.0358
XLogP
4.96
TPSA
82.57
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
114.98

Supplementary Information

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