rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-5-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid tert-butyl ester

HCID 66625331
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Basic information

Standard SMILES
CC(C)(C)CC1NC(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)c(F)cc12
InChIKey
ZCGPBNXVAHFOQU-UHFFFAOYSA-N
Molecular formula
C27H30Cl2F2N2O3
Average molar mass
539.4 g/mol
Monoisotopic mass
538.1601545

Names & identifiers

Preferred name
rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-5-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

Names & synonyms

SCHEMBL223498ZCGPBNXVAHFOQU-UHFFFAOYSA-Nrac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-5-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
66625331

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
67.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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