Name: [7-chloro-3-(4-chlorobenzyl)-2,4-dimethylquinolin-5-yl]acetic acid methyl ester
SMILES:
COC(=O)Cc1cc(Cl)cc2nc(C)c(Cc3ccc(Cl)cc3)c(C)c12Molecular Processing
Molecular formula
C21H19Cl2NO2
Molecular weight
388.29
Exact mass
387.0793
XLogP
5.46
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
106.21
Supplementary Information
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