CC(=O)c1ccc(N2CCN(C(=O)c3cc(C(C)=O)ccc3N3CCOCC3)CC2)c(F)c1
SMILES: CC(=O)c1ccc(N2CCN(C(=O)c3cc(C(C)=O)ccc3N3CCOCC3)CC2)c(F)c1

Molecular Processing

Molecular formula
C25H28FN3O4
Molecular weight
453.51
Exact mass
453.2064
XLogP
3.03
TPSA
70.16
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
124

Supplementary Information

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