Basic information
- Standard SMILES
Fc1ccc(OCC2CC3CN(c4ncc(F)cn4)CCN3C2)cc1- InChIKey
GGGKIVRCBHWSRY-UHFFFAOYSA-N- Molecular formula
- C18H20F2N4O
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- (7RS,8aSR)-7-(4-Fluorophenoxy)methyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
- IUPAC
- 7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
Names & synonyms
SCHEMBL7812944GGGKIVRCBHWSRY-UHFFFAOYSA-NL016840(7RS,8aSR)-7-(4-Fluorophenoxy)methyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine(7SR,8aSR)-7-(4-Fluorophenoxy)methyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
Database identifiers
- PubChem CID
- 9798299
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 427
Related reactions
5 records
Compound notes
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