tert-butyl (6R,7S)-6-(benzylamino)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NCc2ccccc2)C1- InChIKey
VKKULPFPQGWPKU-RTWAWAEBSA-N- Molecular formula
- C23H28Cl2N2O3
- Average molar mass
- 451.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl (6R,7S)-6-(benzylamino)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
- IUPAC
- tert-butyl (6R,7S)-6-(benzylamino)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Names & synonyms
SCHEMBL1280985VKKULPFPQGWPKU-RTWAWAEBSA-Ntert-butyl (6R,7S)-6-(benzylamino)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
Database identifiers
- PubChem CID
- 66976243
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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