SMILES:
Cc1cc(F)ccc1-c1nc(NCCN)nc2c1ccc(=O)n2-c1c(F)cccc1FMolecular Processing
Molecular formula
C22H18F3N5O
Molecular weight
425.41
Exact mass
425.1463
XLogP
3.54
TPSA
85.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
112.73
Supplementary Information
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Involved in 32 reactions→