(3S,8R,9aS)-8-(prop-2-en-1-yloxy)-3-(thiophen-2-ylmethyl)-hexahydro-2H-pyrido[1,2-a]piperazine-1,4-dione
AlkaPlorer ID: AK267642
Synonym: None
IUPAC Name: (3S,8S,9aS)-8-prop-2-enoxy-3-(thiophen-2-ylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
Structure
SMILES: C=CCO[C@H]1CCN2C(=O)[C@H](CC3=CC=CS3)NC(=O)[C@@H]2C1
InChI: InChI=1S/C16H20N2O3S/c1-2-7-21-11-5-6-18-14(9-11)15(19)17-13(16(18)20)10-12-4-3-8-22-12/h2-4,8,11,13-14H,1,5-7,9-10H2,(H,17,19)/t11-,13-,14-/m0/s1
InChIKey: POQNFILHYRWQMX-UBHSHLNASA-N
Source
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Properties Information
Molecule Weight: 320.4140000000001
TPSA？: 58.64
MolLogP？: 1.3511999999999995
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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