Name: 5-amino-1-(4-fluorophenyl)-N-{[2-(trifluoromethyl)-2-oxiranyl]methyl}-1H-pyrazole-4-carboxamide
SMILES:
Nc1c(C(=O)NCC2(C(F)(F)F)CO2)cnn1-c1ccc(F)cc1Molecular Processing
Molecular formula
C14H12F4N4O2
Molecular weight
344.27
Exact mass
344.0896
XLogP
1.65
TPSA
85.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
75.01
Supplementary Information
Details werden geladen…
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