Name: (3R)-1-benzyl-3-(4-hydroxy-3-methoxybenzyl)piperazine-2,5-dione
SMILES:
COc1cc(C[C@H]2NC(=O)CN(Cc3ccccc3)C2=O)ccc1OMolecular Processing
Molecular formula
C19H20N2O4
Molecular weight
340.38
Exact mass
340.1423
XLogP
1.47
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
92.15
Supplementary Information
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