2,5,13,20-Tetrazatricyclo[20.4.0.06,11]hexacosa-1(26),6,8,10,12,20,22,24-octaene
Basic information
- CAS
94390-11-1- Standard SMILES
C1=NCCCCCCN=Cc2ccccc2NCCNc2ccccc21- InChIKey
DNEKHMKWNYWWDY-UHFFFAOYSA-N- Molecular formula
- C22H28N4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.23139691
Names & identifiers
- Preferred name
- 2,5,13,20-Tetrazatricyclo[20.4.0.06,11]hexacosa-1(26),6,8,10,12,20,22,24-octaene
- IUPAC
- 2,5,13,20-tetrazatricyclo[20.4.0.06,11]hexacosa-1(26),6,8,10,12,20,22,24-octaene
Names & synonyms
NSC30714194390-11-1DTXSID00316810NSC-307141(5E,13E)-7,8,9,10,11,12,19,20,21,22-Decahydrodibenzo[e,q][1,4,8,15]tetraazacyclooctadecine
Database identifiers
- CAS
94390-11-1- PubChem CID
- 328510
- DTXSID
DTXSID00316810
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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