Название: 2-cyclopentylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methoxycarbonyl-2H-pyridazin-3-one
SMILES:
COC(=O)c1cc(-c2ccc(OC)c(F)c2)nn(CC2CCCC2)c1=OMolecular Processing
Molecular formula
C19H21FN2O4
Molecular weight
360.39
Exact mass
360.1485
XLogP
3.03
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
93.74
Supplementary Information
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