Basic information
- Standard SMILES
O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3c(F)cccc3F)CC12- InChIKey
OBTWJTNCPKRHGT-UHFFFAOYSA-N- Molecular formula
- C28H25F2NO2
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.18533536
Names & identifiers
- Preferred name
- (3aRS,7aRS)-2-[(2,6-difluorophenyl)acetyl]-7,7-diphenyl-4-perhydroisoindolone
- IUPAC
- 2-[2-(2,6-difluorophenyl)acetyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Names & synonyms
SCHEMBL9730227OBTWJTNCPKRHGT-UHFFFAOYSA-N(3aRS,7aRS)-2-[(2,6-difluorophenyl)acetyl]-7,7-diphenyl-4-perhydroisoindolone
Database identifiers
- PubChem CID
- 67916053
Properties
Computed structural properties
- 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
- 687
Related reactions
1 records
Compound notes
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