Name: (+/−)-ethyl 4-[4,4,4-trifluoro-1-({6-[4-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}amino)butyl]benzoate
SMILES:
CCOC(=O)c1ccc(C(CCC(F)(F)F)Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)cc1Molecular Processing
Molecular formula
C22H20F6N4O2
Molecular weight
486.42
Exact mass
486.149
XLogP
5.96
TPSA
69.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
110.41
Supplementary Information
Details werden geladen…
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