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Basic information
- Standard SMILES
CC1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2- InChIKey
ONJUREUCGKVEGP-UHFFFAOYSA-N- Molecular formula
- C20H21NO2S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.12930009
Names & identifiers
- Preferred name
- 2-(2-Methyl-1-piperidyl)-1-phenoxathiin-2-yl-ethanone
- IUPAC
- 2-(2-methylpiperidin-1-yl)-1-phenoxathiin-2-ylethanone
Names & synonyms
NSC6918912-(2-methyl-1-piperidyl)-1-phenoxathiin-2-yl-ethanoneCHEMBL2009553NCI60_0329972-(2-Methyl-1-piperidinyl)-1-(2-phenoxathiinyl)ethanone hydrobromide
Database identifiers
- PubChem CID
- 392076
- ChEMBL
CHEMBL2009553
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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