Nom: title compound
SMILES:
COc1cc(Cl)c(C(=O)N=C=O)cc1CNC(=O)C(F)(F)FMolecular Processing
Molecular formula
C12H8ClF3N2O4
Molecular weight
336.65
Exact mass
336.0125
XLogP
2
TPSA
84.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
68.36
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→