PJ157

AlkaPlorer ID: AK020997

Synonym: None

IUPAC Name: (3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione

Structure

SMILES: CC(C)=CCC/C(C)=C/COC1=CC=C(/C=C2/N=C(O)[C@H](C)N=C2O)C=C1

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InChI: InChI=1S/C22H28N2O3/c1-15(2)6-5-7-16(3)12-13-27-19-10-8-18(9-11-19)14-20-22(26)23-17(4)21(25)24-20/h6,8-12,14,17H,5,7,13H2,1-4H3,(H,23,26)(H,24,25)/b16-12+,20-14+/t17-/m0/s1

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InChIKey: WJYQOEOGXGQMEU-MSODBRDKSA-N

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Properties Information

Molecule Weight: 368.477

TPSA: 74.41

MolLogP: 5.414100000000005

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information