Basic information
- Standard SMILES
CC(=O)c1ccc(N2CCN(C(=O)c3cc(C(C)=O)ccc3N3CCOCC3)CC2)c(F)c1- InChIKey
VPVKKDIMYDNQNU-UHFFFAOYSA-N- Molecular formula
- C25H28FN3O4
- Average molar mass
- 453.5 g/mol
Names & identifiers
- Preferred name
- 1-{4-[4-(5-Acetyl-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl}-ethanone
- IUPAC
- 1-[3-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-4-morpholin-4-ylphenyl]ethanone
Names & synonyms
SCHEMBL3929509VPVKKDIMYDNQNU-UHFFFAOYSA-N1-{4-[4-(5-Acetyl-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl}-ethanone1-{4-[4-(5-Acetyl-2-morpholin4-yl-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl}-ethanone
Database identifiers
- PubChem CID
- 59793552
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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