Name: (2R)-4-[3-(2-fluoro-3-methoxyphenyl)isoxazol-5-yl]-2-methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)butanamide
SMILES:
COc1cccc(-c2cc(CC[C@](C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)on2)c1FMolecular Processing
Molecular formula
C21H27FN2O7S
Molecular weight
470.52
Exact mass
470.1523
XLogP
2.8
TPSA
116.96
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
112.84
Supplementary Information
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