Name: 2-Chlorobenzenesulfonic acid 3-[[N-(tert-butoxycarbonyl)piperidin-3-yl]methoxy]-5-methylphenyl ester
SMILES:
Cc1cc(OCC2CCCN(C(=O)OC(C)(C)C)C2)cc(OS(=O)(=O)c2ccccc2Cl)c1Molecular Processing
Molecular formula
C24H30ClNO6S
Molecular weight
496.03
Exact mass
495.1482
XLogP
5.44
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
126.47
Supplementary Information
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