CC(C)(C)c1ccc(CN(CCc2ccc(F)c(Br)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
SMILES: CC(C)(C)c1ccc(CN(CCc2ccc(F)c(Br)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

Molecular Processing

Molecular formula
C27H24BrClF5NO
Molecular weight
588.84
Exact mass
587.065
XLogP
8.58
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
134.1

Supplementary Information

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