C=COCCONC(=O)c1nn(C)c(=O)cc1Nc1ccc(SC)cc1F
Nom: N-(2-ethenoxyethoxy)-4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridazine-3-carboxamide
SMILES: C=COCCONC(=O)c1nn(C)c(=O)cc1Nc1ccc(SC)cc1F

Molecular Processing

Molecular formula
C17H19FN4O4S
Molecular weight
394.43
Exact mass
394.1111
XLogP
2.21
TPSA
94.48
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
100.51

Supplementary Information

InChIKey: DFUZYVZDMIDXML-UHFFFAOYSA-N
Synonymes
SCHEMBL392065DFUZYVZDMIDXML-UHFFFAOYSA-N4-(2-fluoro-4-(methylthio)phenylamino)-1-methyl-6-oxo-N-(2-(vinyloxy)ethoxy)-1,6-dihydro pyridazine-3-carboxamide4-(2-fluoro-4-(methylthio)phenylamino)-1-methyl-6-oxo-N-(2-(vinyloxy)ethoxy)-1,6-dihydropyridazine-3-carboxamide
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Impliqué dans 16 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→