3,6,9,12,15-Pentaoxa-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Basic information
- CAS
67705-78-6- Standard SMILES
O=C1OCCOCCOCCOCCOC(=O)c2cncc1c2- InChIKey
WMIWUXDPOTVBSF-UHFFFAOYSA-N- Molecular formula
- C15H19NO7
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.11615195
Names & identifiers
- Preferred name
- 3,6,9,12,15-Pentaoxa-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
- IUPAC
- 3,6,9,12,15-pentaoxa-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Names & synonyms
NSC29784667705-78-63,6,9,12,15-pentaoxa-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dioneDTXSID10315839NSC-297846
Database identifiers
- CAS
67705-78-6- PubChem CID
- 326425
- DTXSID
DTXSID10315839
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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