Molecules/(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
(3S,6S)-3-[(4-hydroxy-2,6-dimethylphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Molecular Identity
(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
(3S,6S)-3-[(4-hydroxy-2,6-dimethylphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
PubChem CID: 146020564
2D Structure
Properties
C20H22N2O4
Molecular Formula
354.40
Molecular Weight
g/mol
354.1580
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
98.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
506
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)C)OIsomeric SMILES
SMILES: CC1=CC(=CC(=C1C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CC=C(C=C3)O)C)OSynonyms(4)
CHEMBL4437078(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dioneBDBM50505737OUC
Data from PubChem (NCBI)
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Molecular Structure
(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
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Drug Network
Trials and conditions connected to (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
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