Basic information
- Standard SMILES
c1ccc(C2(c3nnc4n3CCCCCC4)CCCCC2)cc1- InChIKey
DFFWGGJNBZJCEH-UHFFFAOYSA-N- Molecular formula
- C20H27N3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.22049787
Names & identifiers
- Preferred name
- 3-(1-Phenylcyclohexyl)-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine
- IUPAC
- 3-(1-phenylcyclohexyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
Names & synonyms
CHEMBL256571SCHEMBL5638365DFFWGGJNBZJCEH-UHFFFAOYSA-NBDBM503778773-(1-phenylcyclohexyl)-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine3-(1-phenylcyclohexyl)-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-alpha]azocine
Database identifiers
- PubChem CID
- 10403095
- ChEMBL
CHEMBL256571
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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