Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C(N)C1- InChIKey
BADHSJPLOPMRMI-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2N2O3
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.100748
Names & identifiers
- Preferred name
- tert-butyl (6SR,7SR)-6-amino-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
- IUPAC
- tert-butyl 6-amino-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Names & synonyms
SCHEMBL1280034BADHSJPLOPMRMI-UHFFFAOYSA-Ntert-butyl (6SR,7SR)-6-amino-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Database identifiers
- PubChem CID
- 66975299
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
3 records
Compound notes
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