SMILES:
CC(C)COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2O)cc1C#NMolecular Processing
Molecular formula
C21H19FN4O3
Molecular weight
394.41
Exact mass
394.1441
XLogP
3.88
TPSA
100.17
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
104.63
Supplementary Information
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