Not named

AlkaPlorer ID: AK073734

Synonym: None

IUPAC Name: (3S,9aR)-3-benzyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

Structure

SMILES: O=C1[C@H](CC2=CC=CC=C2)N=C(O)[C@H]2CCCCN12

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InChI: InChI=1S/C15H18N2O2/c18-14-13-8-4-5-9-17(13)15(19)12(16-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,18)/t12-,13+/m0/s1

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InChIKey: KBROKGQCALWRSB-QWHCGFSZSA-N

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Properties Information

Molecule Weight: 258.3209999999999

TPSA: 52.9

MolLogP: 1.9489

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information