SMILES:
COc1ccc(C(CC(C)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1OC1CCCC1Molecular Processing
Molecular formula
C26H28N2O6
Molecular weight
464.52
Exact mass
464.1947
XLogP
4.29
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
125.16
Supplementary Information
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