Nombre: 4-{1-[2-(3-Bromophenyl)ethoxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline 3-Bromophenethyl alcohol
SMILES:
COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1cccc(Br)c1)=CC(C)(C)N2.OCCc1cccc(Br)c1Molecular Processing
Molecular formula
C36H39Br2NO3
Molecular weight
693.52
Exact mass
691.1297
XLogP
9.34
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.278
Molar refractivity
182.3
Supplementary Information
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