CC1=C(C(=CN(C1=O)C)C(=O)NCCC#N)NC2=C(C=C(C=C2)Br)F
الاسم: 4-(4-bromo-2-fluoroanilino)-N-(2-cyanoethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILES: CC1=C(C(=CN(C1=O)C)C(=O)NCCC#N)NC2=C(C=C(C=C2)Br)F

Molecular Processing

Molecular formula
C17H16BrFN4O2
Molecular weight
407.24
Exact mass
406.0441
XLogP
2.98
TPSA
86.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
96.37

Supplementary Information

InChIKey: XFQGALSTUDFAKV-UHFFFAOYSA-N
مرادفات
SCHEMBL392978XFQGALSTUDFAKV-UHFFFAOYSA-N4-(4-bromo-2-fluorophenylamino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid (2-cyano-ethyl)-amide
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