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Basic information
- Standard SMILES
Br.CC1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2- InChIKey
AXPSXZRKLBBPCH-UHFFFAOYSA-N- Molecular formula
- C20H22BrNO2S
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 419.05546
Names & identifiers
- Preferred name
- 2-(2-Methylpiperidin-1-yl)-1-phenoxathiin-2-ylethanone;hydrobromide
- IUPAC
- 2-(2-methylpiperidin-1-yl)-1-phenoxathiin-2-ylethanone;hydrobromide
Names & synonyms
NSC691891CHEMBL1969887NSC-691891
Database identifiers
- PubChem CID
- 392075
- ChEMBL
CHEMBL1969887
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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