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Basic information
- Standard SMILES
O=C(CN1CCCCC1)c1ccc2c(c1)Sc1ccccc1O2- InChIKey
YAQJXKLJOYADSC-UHFFFAOYSA-N- Molecular formula
- C19H19NO2S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.11365002
Names & identifiers
- Preferred name
- 1-Phenoxathiin-2-yl-2-(1-piperidyl)ethanone
- IUPAC
- 1-phenoxathiin-2-yl-2-piperidin-1-ylethanone
Names & synonyms
NSC6918901-phenoxathiin-2-yl-2-(1-piperidyl)ethanoneCHEMBL2009855NCI60_0329961-(2-Phenoxathiinyl)-2-(1-piperidinyl)ethanone hydroiodide
Database identifiers
- PubChem CID
- 392074
- ChEMBL
CHEMBL2009855
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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