Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(F)c2)[C@H](O)C1- InChIKey
KWQQARZTYVBWOI-KGLIPLIRSA-N- Molecular formula
- C16H21ClFNO4
- Average molar mass
- 345.79 g/mol
Names & identifiers
- Preferred name
- tert-butyl (6R,7S)-7-(4-chloro-3-fluorophenyl)-6-hydroxy-1,4-oxazepane-4-carboxylate
- IUPAC
- tert-butyl (6R,7S)-7-(4-chloro-3-fluorophenyl)-6-hydroxy-1,4-oxazepane-4-carboxylate
Names & synonyms
SCHEMBL1281089KWQQARZTYVBWOI-KGLIPLIRSA-Ntert-butyl (6R,7S)-7-(4-chloro-3-fluorophenyl)-6-hydroxy-1,4-oxazepane-4-carboxylate
Database identifiers
- PubChem CID
- 66976341
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
1 records
Compound notes
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