SMILES:
CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(Br)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C20H20BrF4N3O
Molecular weight
474.3
Exact mass
473.0726
XLogP
4.85
TPSA
35.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.5
Supplementary Information
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