O=C(NOCCO)c1cc(/C=N/OCCO)c(F)c(F)c1Nc1ccc(I)cc1F
Name: (E)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-[(2-hydroxy-ethoxyimino)-methyl]-benzamide
SMILES: O=C(NOCCO)c1cc(/C=N/OCCO)c(F)c(F)c1Nc1ccc(I)cc1F

Molecular Processing

Molecular formula
C18H17F3IN3O5
Molecular weight
539.25
Exact mass
539.0165
XLogP
2.45
TPSA
112.41
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
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
0.222
Molar refractivity
109.89

Supplementary Information

Details werden geladen…

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