Name: 4-[1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]aniline
SMILES:
Nc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1Molecular Processing
Molecular formula
C17H17F3N6
Molecular weight
362.36
Exact mass
362.1467
XLogP
3.11
TPSA
72.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
90.83
Supplementary Information
Details werden geladen…
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