Name: 2-Methyl-2-[(4-{2-[(methylsulfonyl)oxy]ethyl}-1,3-thiazol-2-yl)thio]propionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOS(C)(=O)=O)cs1Molecular Processing
Molecular formula
C14H23NO5S3
Molecular weight
381.54
Exact mass
381.0738
XLogP
2.87
TPSA
82.56
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
92.39
Supplementary Information
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