Name: (S)-2-tert-butoxy-2-(7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl)ethyl pivalate
SMILES:
Cc1ccc2c(-c3ccc(Cl)cc3)c([C@@H](COC(=O)C(C)(C)C)OC(C)(C)C)c(Cl)cc2n1Molecular Processing
Molecular formula
C27H31Cl2NO3
Molecular weight
488.46
Exact mass
487.1681
XLogP
7.96
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
135.93
Supplementary Information
Details werden geladen…
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