Name: (S)-2-(5-bromo-2,7-dimethylquinolin-6-yl)-2-tert-butoxyethyl pivalate
SMILES:
Cc1ccc2c(Br)c([C@@H](COC(=O)C(C)(C)C)OC(C)(C)C)c(C)cc2n1Molecular Processing
Molecular formula
C22H30BrNO3
Molecular weight
436.39
Exact mass
435.1409
XLogP
6.06
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
112.91
Supplementary Information
Details werden geladen…
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