Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O- InChIKey
OOHNEAVZOXZYOP-DNVCBOLYSA-N- Molecular formula
- C23H27F2N3O3
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]carbamate
Names & synonyms
OOHNEAVZOXZYOP-DNVCBOLYSA-Ntert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamatetert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamate
Database identifiers
- PubChem CID
- 86595043
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
16 records
Linked notes
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