Name: 2-Chlorobenzenesulfonic acid 3 -[[1-N-(tert-butoxycarbonyl)piperidin-4-yl]methoxy]-5-carbomethoxyphenyl ester
SMILES:
COC(=O)c1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1Molecular Processing
Molecular formula
C25H30ClNO8S
Molecular weight
540.03
Exact mass
539.1381
XLogP
4.92
TPSA
108.44
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
133.07
Supplementary Information
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