Name: (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(trifluoromethylsulfonyloxy) phenyl)benzo[d]thiazol-6-yl)ethyl pivalate
SMILES:
Cc1cc2nc(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)sc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)CMolecular Processing
Molecular formula
C32H33ClF3NO6S2
Molecular weight
684.2
Exact mass
683.139
XLogP
9.27
TPSA
91.79
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
45
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
169.83
Supplementary Information
Details werden geladen…
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