Nombre: 2-cyclopropylmethyl-4-[2,2-di(tert-butoxycarbonyl)ethyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
SMILES:
COc1ccc(-c2cc(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)n(CC3CC3)n2)cc1FMolecular Processing
Molecular formula
C27H35FN2O6
Molecular weight
502.58
Exact mass
502.2479
XLogP
4.31
TPSA
96.72
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
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
0.556
Molar refractivity
132.05
Supplementary Information
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