Nombre: 3-{3-fluoro-4-[3-(4-fluoro-phenyl)-ureido]-phenyl}-isoxazole-5-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)cc3)c(F)c2)no1Molecular Processing
Molecular formula
C19H15F2N3O4
Molecular weight
387.34
Exact mass
387.1031
XLogP
4.44
TPSA
93.46
H-bond donors
2
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
9
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
96.89
Supplementary Information
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