Nombre: ethyl 3-(4-(3-(2,4-difluorophenyl)ureido)-3-methylphenyl)isoxazole-5-carboxylate
SMILES:
CCOC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)c(C)c2)no1Molecular Processing
Molecular formula
C20H17F2N3O4
Molecular weight
401.37
Exact mass
401.1187
XLogP
4.75
TPSA
93.46
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
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
0.15
Molar refractivity
101.63
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→