CN(C(=O)N(C)C1CN(C(=O)C2CCOCC2)CC1c1ccc(F)cc1)c1cc(Br)cc(C(F)(F)F)c1
SMILES: CN(C(=O)N(C)C1CN(C(=O)C2CCOCC2)CC1c1ccc(F)cc1)c1cc(Br)cc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C26H28BrF4N3O3
Molecular weight
586.42
Exact mass
585.125
XLogP
5.52
TPSA
53.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
37
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
0.462
Molar refractivity
133.76

Supplementary Information

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