Basic information
- Standard SMILES
CC1(C)SC2C(Br)C(=O)N2C1C#N- InChIKey
LSVNVRKVBJMROU-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2OS
- Average molar mass
- 261.14 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile
- IUPAC
- 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile
Names & synonyms
SCHEMBL11253145
Database identifiers
- PubChem CID
- 12944712
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 321
Related reactions
1 records
Compound notes
Loading…