الاسم: 2-[(4-{2-[4-(Anilinocarbonyl)phenoxy]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(C(=O)Nc3ccccc3)cc2)cs1Molecular Processing
Molecular formula
C26H30N2O4S2
Molecular weight
498.67
Exact mass
498.1647
XLogP
6.23
TPSA
77.52
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
137.93
Supplementary Information
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