Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CNC1=O- InChIKey
WCOPAMRQAVLNBD-ZWNOBZJWSA-N- Molecular formula
- C17H22F2N2O3
- Average molar mass
- 340.36 g/mol
Names & identifiers
- Preferred name
- tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate
- IUPAC
- tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate
Names & synonyms
tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate781650-32-6TERT-BUTYL N-[(3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXOAZEPAN-3-YL]CARBAMATESCHEMBL12811974WCOPAMRQAVLNBD-ZWNOBZJWSA-Ntert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-ylcarbamatetert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-ylcarbamate
Database identifiers
- PubChem CID
- 23657400
- Nikkaji
- J2.625.438H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 467
Related reactions
54 records
Linked notes
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