Nombre: (5RS)-3-(3-Fluoro-4(4-(2-acetoxyacetyl)piperazin-1-yl)phenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
SMILES:
CC(=O)OCC(=O)N1CCN(c2ccc(C3=NOC(COc4ccon4)C3)cc2F)CC1Molecular Processing
Molecular formula
C21H23FN4O6
Molecular weight
446.44
Exact mass
446.1602
XLogP
1.6
TPSA
106.7
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
109.85
Supplementary Information
Obteniendo detalles…
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