Basic information
- Standard SMILES
CC(=O)O[C@@H]1c2cccnc2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@H]1c1cccc(F)c1F- InChIKey
HRHHLHVEVRAIKO-WBWMCNGVSA-N- Molecular formula
- C27H37F2NO3Si
- Average molar mass
- 489.7 g/mol
- Monoisotopic mass
- 489.2510769
Names & identifiers
- Preferred name
- (5S,6S,9R)-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl acetate
- IUPAC
- [(5S,6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] acetate
Names & synonyms
SCHEMBL1671229HRHHLHVEVRAIKO-WBWMCNGVSA-N(5S,6S,9R)-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl acetate(5S6S,9R)-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl acetate
Database identifiers
- PubChem CID
- 67116262
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
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