名称: 6-bromo-4-[4-(2-methylsulfonylphenoxy)-piperidin-1-yl] quinoline
SMILES:
CS(=O)(=O)c1ccccc1OC1CCN(c2ccnc3ccc(Br)cc23)CC1Molecular Processing
Molecular formula
C21H21BrN2O3S
Molecular weight
461.38
Exact mass
460.0456
XLogP
4.45
TPSA
59.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
114.86
Supplementary Information
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