CC(=O)Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1
SMILES: CC(=O)Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1

Molecular Processing

Molecular formula
C23H13F6N5O
Molecular weight
489.38
Exact mass
489.1024
XLogP
5.19
TPSA
72.18
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
35
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
0.13
Molar refractivity
112.95

Supplementary Information

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