SMILES:
CC(=O)N1CCc2c(nc(-c3ccc(NC(=O)NCC(F)(F)F)cc3)nc2N2CCOCC2C)C1Molecular Processing
Molecular formula
C23H27F3N6O3
Molecular weight
492.5
Exact mass
492.2097
XLogP
2.96
TPSA
99.69
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
122.97
Supplementary Information
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