Basic information
- Standard SMILES
Nc1cc(F)ccc1N1CCN2C[C@H](COc3ccc(F)cc3)CC[C@H]2C1- InChIKey
FQBFURXJAFRHCB-QAPCUYQASA-N- Molecular formula
- C21H25F2N3O
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- (7R,9aS)-7-(4-Fluorophenoxy)methyl-2-(2-amino-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
- IUPAC
- 2-[(7R,9aS)-7-[(4-fluorophenoxy)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoroaniline
Names & synonyms
SCHEMBL5414732FQBFURXJAFRHCB-QAPCUYQASA-N(7R,9aS)-7-(4-Fluorophenoxy)methyl-2-(2-ami no-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine(7R,9aS)-7-(4-Fluorophenoxy)methyl-2-(2-amino-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
Database identifiers
- PubChem CID
- 69433005
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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