SMILES:
CC(C)(C)OC(=O)N1CCC(=C(Br)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1Molecular Processing
Molecular formula
C23H24BrF3N2O3
Molecular weight
513.35
Exact mass
512.0922
XLogP
7.03
TPSA
51.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
118.64
Supplementary Information
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