Nombre: title compound
SMILES:
Cc1ccc(C(=O)NC[C@H](C)O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=OMolecular Processing
Molecular formula
C22H20BrF2N3O4
Molecular weight
508.32
Exact mass
507.0605
XLogP
3.27
TPSA
93.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
116.98
Supplementary Information
Obteniendo detalles…
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