Basic information
- Standard SMILES
COc1ccc(C(=O)CCC(=O)N2CCN3CCCCC3C2)cc1F- InChIKey
XBOBINRNACURIY-UHFFFAOYSA-N- Molecular formula
- C19H25FN2O3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.18492083
Names & identifiers
- Preferred name
- 1-(3-Fluoro-4-methoxyphenyl)-4-(octahydropyrido[1,2-a]pyrazin-2-yl)butane-1,4-dione
- IUPAC
- 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione
Names & synonyms
SCHEMBL5233892XBOBINRNACURIY-UHFFFAOYSA-N1-(3-Fluoro-4-methoxyphenyl)-4-(octahydropyrido[1,2-a]pyrazin-2-yl)butane-1,4-dione
Database identifiers
- PubChem CID
- 22393141
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
2 records
Compound notes
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