Название: 2-[4-(2-diethylamino-ethoxy)benzyl]-2-(4-methoxy-benzenesulfonyl) hexanoic acid ethyl ester
SMILES:
CCCCC(Cc1ccc(OCCN(CC)CC)cc1)(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1Molecular Processing
Molecular formula
C28H41NO6S
Molecular weight
519.7
Exact mass
519.2655
XLogP
4.92
TPSA
82.14
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
36
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
142.5
Supplementary Information
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