Name: Compound 1
SMILES:
COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1Molecular Processing
Molecular formula
C20H12F5N5O2
Molecular weight
449.34
Exact mass
449.0911
XLogP
4.37
TPSA
81.93
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
102.53
Supplementary Information
Details werden geladen…
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