Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CCC[C@H]2c1ccc(Br)cc1- InChIKey
CZJIMIXUGRPDRE-YADARESESA-N- Molecular formula
- C24H23BrCl2N2O3S
- Average molar mass
- 570.3 g/mol
Names & identifiers
- Preferred name
- (5R*,6S*)-6-(4-bromophenyl)-3-(3,5-dichlorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (5R,9S)-9-(4-bromophenyl)-3-(3,5-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-diazaspiro[4.4]nonane-1-carboxylate
Names & synonyms
SCHEMBL3844848CZJIMIXUGRPDRE-YADARESESA-N(5R*,6S*)-6-(4-bromophenyl)-3-(3,5-dichlorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 60054813
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 791
Related reactions
2 records
Compound notes
Loading…