SMILES:
CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(Br)c(F)c1Molecular Processing
Molecular formula
C23H23BrCl2FN3O4
Molecular weight
575.26
Exact mass
573.0233
XLogP
4.15
TPSA
62.32
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
131.18
Supplementary Information
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