Name: (S)-2-(2-acetoxy-5-bromo-7-methylquinolin-6-yl)-2-tert-butoxyethyl pivalate
SMILES:
CC(=O)Oc1ccc2c(Br)c([C@@H](COC(=O)C(C)(C)C)OC(C)(C)C)c(C)cc2n1Molecular Processing
Molecular formula
C23H30BrNO5
Molecular weight
480.4
Exact mass
479.1307
XLogP
5.68
TPSA
74.72
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
119.48
Supplementary Information
Details werden geladen…
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