Basic information
- CAS
68436-50-0- Standard SMILES
O=C1OCCOCCSCCOCCOC(=O)c2cccc1n2- InChIKey
XZVXEPBFNJQKEI-UHFFFAOYSA-N- Molecular formula
- C15H19NO6S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.0933085
Names & identifiers
- Preferred name
- 3,6,12,15-Tetraoxa-9-thia-21-azabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dione
- IUPAC
- 3,6,12,15-tetraoxa-9-thia-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Names & synonyms
68436-50-0QJ9QH7WYF5UNII-QJ9QH7WYF53,6,12,15-Tetraoxa-9-thia-21-azabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dioneNSC 297843NSC-297843DTXSID802185603,6,12,15-Tetraoxa-9-thia-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione3,6,12,15-TETRAOXA-9-THIA-21-AZABICYCLO(15.3.1)HENEICOSA-1(21),17,19-TRIENE-2,16-DIONERefChem:91647DTXCID30141051NSC297843
Database identifiers
- CAS
68436-50-0- PubChem CID
- 326422
- DTXSID
DTXSID80218560- UNII
- QJ9QH7WYF5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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