Basic information
- Standard SMILES
Fc1ccc(O[C@H]2C[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1- InChIKey
QGDDXQJHSBLQQS-HOCLYGCPSA-N- Molecular formula
- C17H18F2N4O
- Average molar mass
- 332.35 g/mol
- Monoisotopic mass
- 332.14486753
Names & identifiers
- Preferred name
- (7S,8aS)-7-(4-Fluorophenoxy)-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
- IUPAC
- (7S,8aS)-7-(4-fluorophenoxy)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
Names & synonyms
SCHEMBL7827461QGDDXQJHSBLQQS-HOCLYGCPSA-N(7S,8aS)-7-(4-Fluorophenoxy)-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
Database identifiers
- PubChem CID
- 70199992
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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