Name: toluene-4-thiosulfonic acid S-(4,5-bis-tert-butoxycarbonylamino-2-tert-butyl-phenyl) ester
SMILES:
Cc1ccc(S(=O)(=O)Sc2cc(NC(=O)OC(C)(C)C)c(NC(=O)OC(C)(C)C)cc2C(C)(C)C)cc1Molecular Processing
Molecular formula
C27H38N2O6S2
Molecular weight
550.74
Exact mass
550.2171
XLogP
7.47
TPSA
110.8
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
149.08
Supplementary Information
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