(3S,9aS)-3-[(4-methoxyphenyl)methyl]-8-(thiophene-2-carbonyl)-hexahydropyrazino[1,2-a]piperazine-1,4-dione
AlkaPlorer ID: AK367805
Synonym: None
IUPAC Name: (7S,9aS)-7-[(4-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
Structure
SMILES: COC1=CC=C(C[C@@H]2NC(=O)[C@@H]3CN(C(=O)C4=CC=CS4)CCN3C2=O)C=C1
InChI: InChI=1S/C20H21N3O4S/c1-27-14-6-4-13(5-7-14)11-15-19(25)23-9-8-22(12-16(23)18(24)21-15)20(26)17-3-2-10-28-17/h2-7,10,15-16H,8-9,11-12H2,1H3,(H,21,24)/t15-,16-/m0/s1
InChIKey: DNLVRYXTIQYJIN-HOTGVXAUSA-N
Reference
Heptaoxygenated xanthones as anti-austerity agents from Securidaca longepedunculata
PubChem CID: 11886362
SuperNatural Ⅲ: SN0070423-02
Source
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Properties Information
Molecule Weight: 399.47200000000015
TPSA？: 78.95
MolLogP？: 1.1507999999999994
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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