Basic information
- Standard SMILES
O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1- InChIKey
RAFKCHSUPYFJBC-UHFFFAOYSA-N- Molecular formula
- C22H20F2N2O4S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.11118462
Names & identifiers
- Preferred name
- 2-(2,4-Difluorophenoxy)-1-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)ethanone
- IUPAC
- 2-(2,4-difluorophenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
Names & synonyms
SCHEMBL9950939RAFKCHSUPYFJBC-UHFFFAOYSA-N2-(2,4-Difluorophenoxy)-1-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)ethanone
Database identifiers
- PubChem CID
- 40113484
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 724
Related reactions
1 records
Compound notes
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