C=COCCONC(=O)c1ccc(=O)n(C)c1Nc1ccc(Br)cc1F
이름: 2-(4-bromo-2-fluorophenylamino)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid (2-vinyloxyethoxy)-amide
SMILES: C=COCCONC(=O)c1ccc(=O)n(C)c1Nc1ccc(Br)cc1F

Molecular Processing

Molecular formula
C17H17BrFN3O4
Molecular weight
426.24
Exact mass
425.0386
XLogP
2.85
TPSA
81.59
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
98.63

Supplementary Information

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