الاسم: (R/S)-Ethyl 2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetate
SMILES:
CCOC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C22H16F3N3O5
Molecular weight
459.38
Exact mass
459.1042
XLogP
4.67
TPSA
111.48
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
107.26
Supplementary Information
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