(3aRS,7aRS)-7,7-Bis(3-fluorophenyl)-2-(phenylacetyl)perhydro-4-isoindolone
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Basic information
- Standard SMILES
O=C1CCC(c2cccc(F)c2)(c2cccc(F)c2)C2CN(C(=O)Cc3ccccc3)CC12- InChIKey
MAABEPHXXYGMQL-UHFFFAOYSA-N- Molecular formula
- C28H25F2NO2
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- (3aRS,7aRS)-7,7-Bis(3-fluorophenyl)-2-(phenylacetyl)perhydro-4-isoindolone
- IUPAC
- 7,7-bis(3-fluorophenyl)-2-(2-phenylacetyl)-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Names & synonyms
SCHEMBL9730188MAABEPHXXYGMQL-UHFFFAOYSA-N(3aRS,7aRS)-7,7-Bis(3-fluorophenyl)-2-(phenylacetyl)perhydro-4-isoindolone(3aRS,7aRS)-7,7-bis-(3-fluorophenyl)-2-(phenylacetyl)-4-perhydroisoindolone
Database identifiers
- PubChem CID
- 67916043
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 699
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Related reactions
2 records
Compound notes
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