SMILES:
CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCC(F)(F)CC4)[nH]c3cc2Br)CC1Molecular Processing
Molecular formula
C22H28BrF2N3O2
Molecular weight
484.39
Exact mass
483.1333
XLogP
5.05
TPSA
48.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
116.44
Supplementary Information
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