Basic information
- Standard SMILES
Brc1ccc(C2(c3nnc4n3CCCCCC4)CCC2)s1- InChIKey
UIWGPLUXROCNKT-UHFFFAOYSA-N- Molecular formula
- C16H20BrN3S
- Average molar mass
- 366.3 g/mol
Names & identifiers
- Preferred name
- 3-[1-(5-Bromo-2-thienyl)cyclobutyl]-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine
- IUPAC
- 3-[1-(5-bromothiophen-2-yl)cyclobutyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
Names & synonyms
SCHEMBL2982984UIWGPLUXROCNKT-UHFFFAOYSA-N3-[1-(5-bromo-2-thienyl)cyclobutyl]-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine
Database identifiers
- PubChem CID
- 68465882
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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