Basic information
- Standard SMILES
Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(CO)CCC2)C12C(=O)Nc1cc(Cl)ccc12- InChIKey
PCGPGFWXTPVLSO-UHFFFAOYSA-N- Molecular formula
- C30H27Cl2FN2O4
- Average molar mass
- 569.4 g/mol
- Monoisotopic mass
- 568.1331909
Names & identifiers
- Preferred name
- racemic (2'R,3R,4'S)-6-chloro-4'-[5-chloro-2-(1-hydroxymethyl-cyclobutoxy)-phenyl]-2'-(5-fluoro-2-methyl phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
Names & synonyms
PCGPGFWXTPVLSO-UHFFFAOYSA-Nracemic (2'R,3R,4'S)-6-chloro-4'-[5-chloro-2-(1-hydroxymethyl-cyclobutoxy)-phenyl]-2'-(5-fluoro-2-methyl phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
Database identifiers
- PubChem CID
- 76568037
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 952
Related reactions
2 records
Compound notes
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