이름: title compound
SMILES:
CC(C)(CO)C(=O)NCc1cnc(C(F)F)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c1Molecular Processing
Molecular formula
C21H20F5N5O3
Molecular weight
485.41
Exact mass
485.1486
XLogP
3.21
TPSA
112.9
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.09
Supplementary Information
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