Basic information
- Standard SMILES
O=C(CCC(=O)N1CCN2CCCCC2C1)c1ccc(Cl)cc1- InChIKey
FDYLWTUTWZROKS-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O2
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1448057
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-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-(4-chlorophenyl)butane-1,4-dione
Names & synonyms
SCHEMBL5232314FDYLWTUTWZROKS-UHFFFAOYSA-N1-(4-Chlorophenyl)-4-(octahydropyrido[1,2-a]pyrazin-2-yl)butane-1,4-dione
Database identifiers
- PubChem CID
- 22393142
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
2 records
Compound notes
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