Name: 3-[4-({ethyl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-amino}-methyl)-5-methyl-oxazol-2-yl]-benzoic acid
SMILES:
CCN(Cc1nc(-c2cccc(C(=O)O)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Molecular Processing
Molecular formula
C23H20F6N2O4
Molecular weight
502.41
Exact mass
502.1327
XLogP
5.69
TPSA
86.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
112.81
Supplementary Information
Details werden geladen…
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