Basic information
- Standard SMILES
O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3cccc(C(F)(F)F)c3)CC12- InChIKey
GNEQFSQZRSOXNB-UHFFFAOYSA-N- Molecular formula
- C29H26F3NO2
- Average molar mass
- 477.5 g/mol
Names & identifiers
- Preferred name
- (3aRS,7aRS)-7,7-diphenyl-2-[(3-(trifluoromethyl)phenyl)acetyl]-4-perhydroisoindolone
- IUPAC
- 7,7-diphenyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Names & synonyms
(3aRS,7aRS)-7,7-diphenyl-2-[(3-(trifluoromethyl)phenyl)acetyl]-4-perhydroisoindoloneSCHEMBL9729512
Database identifiers
- PubChem CID
- 67915869
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 750
Related reactions
2 records
Compound notes
Loading…