SMILES:
CCC(CC)Oc1cc(-c2nc(CNC(=O)c3ncccc3C)co2)ccc1OC(F)FMolecular Processing
Molecular formula
C23H25F2N3O4
Molecular weight
445.47
Exact mass
445.1813
XLogP
5.14
TPSA
86.48
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
113.71
Supplementary Information
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