COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CC3)F
Name: [2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate
SMILES: COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CC3)F

Molecular Processing

Molecular formula
C17H19FN2O5S
Molecular weight
382.41
Exact mass
382.0999
XLogP
1.94
TPSA
87.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
92.8

Supplementary Information

InChIKey: UUXJWIUUJPKSML-UHFFFAOYSA-N
Synonyme
SCHEMBL1926181UUXJWIUUJPKSML-UHFFFAOYSA-N2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-meth anesulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methane-sulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methanes ulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methanesulfonyloxymethyl-2H-pyridazin-3-one
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