Name: 6-(3-chloro-4-methoxyphenyl)-2-isobutyl-4-methanesulfonyloxy-methyl-2H-pyridazin-3-one
SMILES:
COc1ccc(-c2nn(CC(C)C)c(=O)c(OS(C)(=O)=O)c2C)cc1ClMolecular Processing
Molecular formula
C17H21ClN2O5S
Molecular weight
400.88
Exact mass
400.086
XLogP
2.88
TPSA
87.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
100.54
Supplementary Information
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