Name: Methyl 4-(4-amino-7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)butane-1-sulfonamide
SMILES:
CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(C)S(N)(=O)=OMolecular Processing
Molecular formula
C18H24BrN5O3S
Molecular weight
470.39
Exact mass
469.0783
XLogP
2.92
TPSA
126.12
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
114.28
Supplementary Information
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