Basic information
- CAS
59945-37-8- Standard SMILES
c1cc2nc(c1)COc1ccccc1OCCOCCOc1ccccc1OC2- InChIKey
GLQZQWXTRVUCFP-UHFFFAOYSA-N- Molecular formula
- C23H23NO5
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.15762283
Names & identifiers
- Preferred name
- 3,10,13,16,23-Pentaoxa-29-azatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene
- IUPAC
- 3,10,13,16,23-pentaoxa-29-azatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene
Database identifiers
- CAS
59945-37-8- PubChem CID
- 188166
- Nikkaji
- J298.746E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…