(3S,9aR)-3-[(4-hydroxyphenyl)methyl]-8-(thiophene-2-carbonyl)-hexahydropyrazino[1,2-a]piperazine-1,4-dione
AlkaPlorer ID: AK276745
Synonym: None
IUPAC Name: (7S,9aR)-7-[(4-hydroxyphenyl)methyl]-2-(thiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
Structure
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(=O)N2CCN(C(=O)C3=CC=CS3)C[C@H]12
InChI: InChI=1S/C19H19N3O4S/c23-13-5-3-12(4-6-13)10-14-18(25)22-8-7-21(11-15(22)17(24)20-14)19(26)16-2-1-9-27-16/h1-6,9,14-15,23H,7-8,10-11H2,(H,20,24)/t14-,15+/m0/s1
InChIKey: FFPSGWKPTOOEMD-LSDHHAIUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 385.4450000000001
TPSA？: 89.94999999999999
MolLogP？: 0.8477999999999994
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|