CS(=O)(=O)OC1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C2(Cc2ccc(Br)cc2)C1
SMILES: CS(=O)(=O)OC1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C2(Cc2ccc(Br)cc2)C1

Molecular Processing

Molecular formula
C20H17BrCl2N2O5S
Molecular weight
548.24
Exact mass
545.9419
XLogP
4.25
TPSA
83.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
120.96

Supplementary Information

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