5,6,7,8,9,10,15,16,17,18-Decahydrodibenzo[e,m][1,4,8,11]tetraazacyclotetradecine
Basic information
- CAS
88589-00-8- Standard SMILES
c1ccc2c(c1)CNCCNCc1ccccc1NCCN2- InChIKey
FZIUNPMGCAVJGH-UHFFFAOYSA-N- Molecular formula
- C18H24N4
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.20009678
Names & identifiers
- Preferred name
- 5,6,7,8,9,10,15,16,17,18-Decahydrodibenzo[e,m][1,4,8,11]tetraazacyclotetradecine
- IUPAC
- 2,5,13,16-tetrazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,18,20-hexaene
Names & synonyms
NSC30714988589-00-8SCHEMBL6887634DTXSID20316812NSC-3071495,6,7,8,9,10,15,16,17,18-Decahydrodibenzo[e,m][1,4,8,11]tetraazacyclotetradecine
Database identifiers
- CAS
88589-00-8- PubChem CID
- 328518
- DTXSID
DTXSID20316812- Nikkaji
- J1.117.193A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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