名称: 2-chloro-N-[4-[1-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]acetamide
SMILES:
O=C(CCl)Nc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1Molecular Processing
Molecular formula
C19H18ClF3N6O
Molecular weight
438.84
Exact mass
438.1183
XLogP
3.7
TPSA
75.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
105.76
Supplementary Information
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