Name: (S)-2-(5-bromo-2,7-dimethylquinolin-6-yl)-2-tert-butoxyethanol
SMILES:
Cc1ccc2c(Br)c([C@@H](CO)OC(C)(C)C)c(C)cc2n1Molecular Processing
Molecular formula
C17H22BrNO2
Molecular weight
352.27
Exact mass
351.0834
XLogP
4.46
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
89.58
Supplementary Information
Details werden geladen…
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