Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(c2ccncc2)C1=O- InChIKey
OLOLXYSAGQEVSM-RDTXWAMCSA-N- Molecular formula
- C22H25F2N3O3
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-pyridin-4-ylazepan-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-pyridin-4-ylazepan-3-yl]carbamate
Names & synonyms
OLOLXYSAGQEVSM-RDTXWAMCSA-Ntert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-pyridin-4-ylazepan-3-ylcarbamatetert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-pyridin-4-ylazepan-3-ylcarbamate
Database identifiers
- PubChem CID
- 86595044
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Related reactions
12 records
Linked notes
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