Basic information
- CAS
65201-47-0- Standard SMILES
COc1ccc(N2CCN(C=C3Cc4ccc(F)cc4C3=O)CC2)cc1- InChIKey
DQXQAKVSWFOJQZ-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-6-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-
- IUPAC
- 6-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
Names & synonyms
65201-47-01H-Inden-1-one, 2,3-dihydro-6-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-RefChem:10581172,3-Dihydro-6-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-1H-inden-1-oneBRN 0835518DTXSID9013850666-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-oneNSC 277477
Database identifiers
- CAS
65201-47-0- PubChem CID
- 99944
- DTXSID
DTXSID901385066
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…