Name: 4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carbohydrazide
SMILES:
Cn1cc(C(=O)NN)c(Nc2ccc(Br)cc2F)c(F)c1=OMolecular Processing
Molecular formula
C13H11BrF2N4O2
Molecular weight
373.16
Exact mass
372.0033
XLogP
1.77
TPSA
89.15
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
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
0.077
Molar refractivity
80.68
Supplementary Information
InChIKey: GIQXFACTTZMXKE-UHFFFAOYSA-N
Synonyme
SCHEMBL390435GIQXFACTTZMXKE-UHFFFAOYSA-N4-(4-bromo-2-fluorophenylamino)-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid hydrazide
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