Basic information
- Standard SMILES
O=C1C(c2cccnc2)=C(c2cc(F)cc(F)c2)c2ccc(OCCC3CCNCC3)cc21- InChIKey
PPZNHOHHENNCTE-UHFFFAOYSA-N- Molecular formula
- C27H24F2N2O2
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Difluorophenyl)-6-(2-(piperidin-4-yl)ethoxy)-2-(pyridin-3-yl)-1H-inden-1-one
- IUPAC
- 3-(3,5-difluorophenyl)-6-(2-piperidin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
Names & synonyms
SCHEMBL8233179PPZNHOHHENNCTE-UHFFFAOYSA-N3-(3,5-Difluorophenyl)-6-(2-(piperidin-4-yl)ethoxy)-2-(pyridin-3-yl)-1H-inden-1-one
Database identifiers
- PubChem CID
- 51001990
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 713
Related reactions
1 records
Compound notes
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