SMILES:
CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2=CC(CO)C(CO)C2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C23H28N2O5
Molecular weight
412.49
Exact mass
412.1998
XLogP
1.49
TPSA
112.39
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
113.9
Supplementary Information
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