SMILES:
COC(=O)C[C@]12C[C@@H](OCc3ccc(Br)cc3)CN1C(=O)N(c1cc(Cl)cc(Cl)c1)C2=OMolecular Processing
Molecular formula
C22H19BrCl2N2O5
Molecular weight
542.21
Exact mass
539.9854
XLogP
4.82
TPSA
76.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
122.75
Supplementary Information
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