Name: 2-(4-chlorobenzyl)-6-(3-fluoro-4-methoxyphenyl)-4-methoxycarbonyl-2H-pyridazin-3-one
SMILES:
COC(=O)c1cc(-c2ccc(OC)c(F)c2)nn(Cc2ccc(Cl)cc2)c1=OMolecular Processing
Molecular formula
C20H16ClFN2O4
Molecular weight
402.81
Exact mass
402.0783
XLogP
3.55
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
102.34
Supplementary Information
Details werden geladen…
An 7 Reaktionen beteiligt→