COc1cc(C=C2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2=O)ccc1-n1cnc(C)c1
SMILES: COc1cc(C=C2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2=O)ccc1-n1cnc(C)c1

Molecular Processing

Molecular formula
C28H31FN4O3
Molecular weight
490.58
Exact mass
490.238
XLogP
4.37
TPSA
59.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
136.91

Supplementary Information

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