Name: 8-bromo-1-{3-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1H-pyrazol-4-yl}-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
SMILES:
Cc1nn(CC(=O)N2CCN(C)CC2)cc1-n1c(=O)[nH]c2cnc3ccc(Br)cc3c21Molecular Processing
Molecular formula
C21H22BrN7O2
Molecular weight
484.36
Exact mass
483.1018
XLogP
1.91
TPSA
92.05
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
121.5
Supplementary Information
Details werden geladen…
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