Name: [6-(4-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl methanesulfonate

SMILES: CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC(C)C

Molecular Processing

Molecular formula

C17H22N2O4S

Molecular weight

350.44

Exact mass

350.13

XLogP

2.35

TPSA

78.26

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.412

Molar refractivity

93.14

Supplementary Information

InChIKey: DUQCRHQRLCHHAF-UHFFFAOYSA-N

Synonyme

SCHEMBL1927067DUQCRHQRLCHHAF-UHFFFAOYSA-N2-isobutyl-4-methanesulfonyloxymethyl-6-(4-methylphenyl)-2H-pyridazin-3-one