SMILES:
O=C1CCC(N2C(=O)c3cccc(CNC(=O)N4CCCCC4)c3C2=O)C(=O)N1Molecular Processing
Molecular formula
C20H22N4O5
Molecular weight
398.42
Exact mass
398.159
XLogP
0.78
TPSA
115.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
100.77
Supplementary Information
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