이름: 6-chloro-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
SMILES:
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ccnn2C2CCCCO2)c1Molecular Processing
Molecular formula
C21H18ClF3N4O3
Molecular weight
466.85
Exact mass
466.102
XLogP
5.45
TPSA
78.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
110.39
Supplementary Information
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