Basic information
- Standard SMILES
CC(=O)OC1c2cccnc2C(O[Si](C(C)C)(C(C)C)C(C)C)CCC1Br- InChIKey
NULVWBRHNAFLNW-UHFFFAOYSA-N- Molecular formula
- C21H34BrNO3Si
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 455.14913
Names & identifiers
- Preferred name
- 6-Bromo-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl acetate
- IUPAC
- [6-bromo-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] acetate
Names & synonyms
SCHEMBL828426NULVWBRHNAFLNW-UHFFFAOYSA-N6-Bromo-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl acetate
Database identifiers
- PubChem CID
- 57911409
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 478
Related reactions
3 records
Compound notes
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