CC(=O)OCC1=CC(=C(C=N1)OCC2=CC=C(C=C2)OC)OS(=O)(=O)C(F)(F)F
CAS: 724788-78-7
Name: [5-[(4-methoxyphenyl)methoxy]-4-(trifluoromethylsulfonyloxy)-2-pyridinyl]methyl acetate
SMILES: CC(=O)OCC1=CC(=C(C=N1)OCC2=CC=C(C=C2)OC)OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C17H16F3NO7S
Molecular weight
435.38
Exact mass
435.06
XLogP
2.96
TPSA
101.02
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.64

Supplementary Information

InChIKey: GGNNUPSPJZFFNC-UHFFFAOYSA-N
Synonyms
(5-((4-methoxybenzyl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)pyridin-2-yl)methyl acetate724788-78-7{5-[(4-methoxyphenyl)methoxy]-4-(trifluoromethanesulfonyloxy)pyridin-2-yl}methyl acetateSCHEMBL1037182-(Acetoxymethyl)-4-(trifluoromethylsulfonyloxy)-5-(4-methoxybenzyloxy)pyridineDB-372320(5-[(4-methoxybenzyl)oxy]-4-{[(trifluoromethyl)sulfonyl]oxy}pyridin-2-yl)methylacetate(5-({[4-(methoxy)phenyl]methyl}oxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-pyridinyl)methyl acetate(5-({[4-(Methyloxy)phenyl]methyl}oxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-pyridinyl)methyl acetate
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Involved in 8 reactions→

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