SMILES:
CC(C)(O)CCC1CC(C(Cc2cccc(F)c2)NC(=O)c2cnc3ccccc3n2)OC1=OMolecular Processing
Molecular formula
C26H28FN3O4
Molecular weight
465.53
Exact mass
465.2064
XLogP
3.59
TPSA
101.41
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
124.42
Supplementary Information
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