7-Bromo-1'-(3-(2-(trifluoromethyl)phenyl)propanoyl)spiro[isoindoline-1,4'-piperidin]-3-one
Basic information
- Standard SMILES
O=C1NC2(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)c2c(Br)cccc21- InChIKey
SBYPJDOGAVAMJT-UHFFFAOYSA-N- Molecular formula
- C22H20BrF3N2O2
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 480.06602
Names & identifiers
- Preferred name
- 7-Bromo-1'-(3-(2-(trifluoromethyl)phenyl)propanoyl)spiro[isoindoline-1,4'-piperidin]-3-one
- IUPAC
- 4-bromo-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[2H-isoindole-3,4'-piperidine]-1-one
Names & synonyms
7-bromo-1'-(3-(2-(trifluoromethyl)phenyl)propanoyl)spiro[isoindoline-1,4'-piperidin]-3-oneSCHEMBL1950022
Database identifiers
- PubChem CID
- 58295751
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
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