الاسم: {3-[2-tert-butylsulfanylmethyl-4-(2,2-dimethyl-propionylamino)-phenoxy]-4-methoxy-phenyl}-acetic acid
SMILES:
COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)CMolecular Processing
Molecular formula
C25H33NO5S
Molecular weight
459.61
Exact mass
459.2079
XLogP
6.13
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
129.98
Supplementary Information
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