CC(C)(CF)C(=O)NCc1cnc(C(F)F)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c1
이름: title compound
SMILES: CC(C)(CF)C(=O)NCc1cnc(C(F)F)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c1

Molecular Processing

Molecular formula
C21H19F6N5O2
Molecular weight
487.4
Exact mass
487.1443
XLogP
4.19
TPSA
92.67
H-bond donors
2
H-bond acceptors
4
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
108.98

Supplementary Information

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