Name: N-[2-(7-bromo-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)ethyl]methanesulfonamide
SMILES:
CCCCc1nc2cnc3cc(Br)ccc3c2n1CCNS(C)(=O)=OMolecular Processing
Molecular formula
C17H21BrN4O2S
Molecular weight
425.35
Exact mass
424.0569
XLogP
3.24
TPSA
76.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
104.19
Supplementary Information
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