Name: 2-Chlorobenzenesulfonic acid 3 -[[N-(tert-butoxycarbonyl)piperidin-4-yl]-methoxy]phenyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)CC1Molecular Processing
Molecular formula
C23H28ClNO6S
Molecular weight
482
Exact mass
481.1326
XLogP
5.13
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
121.73
Supplementary Information
Details werden geladen…
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