Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@]2(CN(c3cccc(Cl)c3)C(=O)O2)CN1C(=O)OC(C)(C)C- InChIKey
WDQUAQDSQXLGNR-AOMKIAJQSA-N- Molecular formula
- C22H29ClN2O6
- Average molar mass
- 452.9 g/mol
Names & identifiers
- Preferred name
- (5R,8S)-di-tert-butyl 3-(3-chlorophenyl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7,8-dicarboxylate
- IUPAC
- ditert-butyl (5R,8S)-3-(3-chlorophenyl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7,8-dicarboxylate
Names & synonyms
SCHEMBL3513781WDQUAQDSQXLGNR-AOMKIAJQSA-N(5R,8S)-di-tert-butyl 3-(3-chlorophenyl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7,8-dicarboxylate
Database identifiers
- PubChem CID
- 59547336
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 730
Related reactions
1 records
Compound notes
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