الاسم: 2-({4-bromo-1-[2-(4-fluoro-phenoxy)-ethoxy]-naphthalene-2-carbonyl}-amino)-2-methyl-propionic acid
SMILES:
CC(C)(NC(=O)c1cc(Br)c2ccccc2c1OCCOc1ccc(F)cc1)C(=O)OMolecular Processing
Molecular formula
C23H21BrFNO5
Molecular weight
490.33
Exact mass
489.0587
XLogP
4.79
TPSA
84.86
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
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
0.217
Molar refractivity
118.22
Supplementary Information
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