COc1cc(-c2cn(C3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1ccncc1
SMILES: COc1cc(-c2cn(C3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1ccncc1

Molecular Processing

Molecular formula
C26H22F3N5O2
Molecular weight
493.49
Exact mass
493.1726
XLogP
5.1
TPSA
73.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
127.45

Supplementary Information

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