Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Br)ccc12- InChIKey
ATLLJEPIULERDC-UHFFFAOYSA-N- Molecular formula
- C27H31BrClFN2O3
- Average molar mass
- 565.9 g/mol
Names & identifiers
- Preferred name
- rac-(2'S,3'R,4'S,5'R)-6-bromo-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 6-bromo-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
Names & synonyms
SCHEMBL221882ATLLJEPIULERDC-UHFFFAOYSA-Nrac-(2'S,3'R,4'S,5'R)-6-bromo-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66624937
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 830
Related reactions
2 records
Compound notes
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