Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(N)=O)C1- InChIKey
FEHIGRFGBZOAOX-RISCZKNCSA-N- Molecular formula
- C17H22Cl2N2O4
- Average molar mass
- 389.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl (6R,7R)-6-carbamoyl-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
- IUPAC
- tert-butyl (6R,7R)-6-carbamoyl-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Names & synonyms
SCHEMBL1281063FEHIGRFGBZOAOX-RISCZKNCSA-Ntert-butyl (6R,7R)-6-carbamoyl-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylatetert-butyl-(6R,7R)-6-carbamoyl-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Database identifiers
- PubChem CID
- 66976321
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
Loading…