Basic information
- Standard SMILES
COC(=O)N1C[C@@H]2C=CCC(=O)N2[C@H](c2cc(F)c(F)c(F)c2)C1- InChIKey
HLRQSODORLAHSB-GWCFXTLKSA-N- Molecular formula
- C16H15F3N2O3
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.10347683
Names & identifiers
- Preferred name
- methyl (4R*,9aS*)-6-oxo-4-(3,4,5-trifluorophenyl)-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazine-2-carboxylate
- IUPAC
- methyl (4R,9aS)-6-oxo-4-(3,4,5-trifluorophenyl)-3,4,7,9a-tetrahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate
Names & synonyms
SCHEMBL2584743HLRQSODORLAHSB-GWCFXTLKSA-Nmethyl (4R*,9aS*)-6-oxo-4-(3,4,5-trifluorophenyl)-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazine-2-carboxylate
Database identifiers
- PubChem CID
- 67463345
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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