Basic information
- Standard SMILES
O=C(COc1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1- InChIKey
YYSLUYDXIVDILN-UHFFFAOYSA-N- Molecular formula
- C21H21N3O4S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.12527733
Names & identifiers
- Preferred name
- 1-(4-(Naphthalen-2-ylsulfonyl)piperazin-1-yl)-2-(pyridin-3-yloxy)ethanone
- IUPAC
- 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyridin-3-yloxyethanone
Names & synonyms
SCHEMBL9951308YYSLUYDXIVDILN-UHFFFAOYSA-N1-(4-(Naphthalen-2-ylsulfonyl)piperazin-1-yl)-2-(pyridin-3-yloxy)ethanone
Database identifiers
- PubChem CID
- 67980847
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
Related reactions
1 records
Compound notes
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