Basic information
- CAS
65201-45-8- Standard SMILES
COc1ccc(N2CCN(C=C3Cc4c(F)cccc4C3=O)CC2)cc1- InChIKey
AAHGUNLOJNUIAD-UHFFFAOYSA-N- Molecular formula
- C21H21FN2O2
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.15870608
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 2,3-dihydro-4-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-
- IUPAC
- 4-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
Names & synonyms
1H-Inden-1-one, 2,3-dihydro-4-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-65201-45-8RefChem:10581102,3-Dihydro-4-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-1H-inden-1-oneBRN 0838166NSC 277479
Database identifiers
- CAS
65201-45-8- PubChem CID
- 99946
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…