Nombre: 6-(benzylthio)-1-(4-bromo-2-methoxyphenyl)quinolin-2(1H)-one
SMILES:
COc1cc(Br)ccc1-n1c(=O)ccc2cc(SCc3ccccc3)ccc21Molecular Processing
Molecular formula
C23H18BrNO2S
Molecular weight
452.37
Exact mass
451.0242
XLogP
6.05
TPSA
31.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
119.8
Supplementary Information
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