CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN(C2=O)C3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)S(=O)(=O)C
Name: [2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl] 4-methylbenzenesulfonate
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN(C2=O)C3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)S(=O)(=O)C

Molecular Processing

Molecular formula
C24H18F2N2O6S2
Molecular weight
532.55
Exact mass
532.0574
XLogP
3.66
TPSA
112.4
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
127.29

Supplementary Information

InChIKey: KPBUQEUKGVSXFS-UHFFFAOYSA-N
Synonyme
SCHEMBL4196243KPBUQEUKGVSXFS-UHFFFAOYSA-N2-(3,4-difluorophenyl)-4-tosyloxy-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
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