Название: title compound
SMILES:
O=C(NCc1cnc(C(F)F)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c1)C1CCC1Molecular Processing
Molecular formula
C21H18F5N5O2
Molecular weight
467.4
Exact mass
467.1381
XLogP
4
TPSA
92.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.56
Supplementary Information
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