3-Benzyl-6-benzylidene-2,5-piperazinedione; (S,Z)-form, 4''-Methoxy, N1-Me 

AlkaPlorer ID: AK290443

Synonym: 3-Benzyl-6-(4-methoxybenzylidene)-1-methyl-2,5-piperazinedione, Nocazine C

IUPAC Name: None

Structure

SMILES: COC1=CC=C(/C=C2\C(=O)NC(CC3=CC=CC=C3)C(=O)N2C)C=C1

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InChI: InChI=1S/C20H20N2O3/c1-22-18(13-15-8-10-16(25-2)11-9-15)19(23)21-17(20(22)24)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)/b18-13+

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InChIKey: LNJXHMVOPQVJDF-QGOAFFKASA-N

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Reference

CAS: 1337978-33-2

Properties Information

Molecule Weight: 336.3910000000001

TPSA: 58.64

MolLogP: 2.2356

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information