名称: 3-(2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)propanoic acid
SMILES:
O=C(O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C23H17F3N4O6
Molecular weight
502.41
Exact mass
502.11
XLogP
3.7
TPSA
151.58
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
115.89
Supplementary Information
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