名称: 4-(1-methanesulfonyloxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
SMILES:
COc1ccccc1-c1ccc2c(c1)C(C(C)OS(C)(=O)=O)=CC(C)(C)N2C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H33NO6S
Molecular weight
487.62
Exact mass
487.2029
XLogP
5.64
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
134.59
Supplementary Information
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