(3aRS,7aRS)-2-[(4-fluorophenyl)acetyl]-7,7-diphenyl-4-perhydroisoindolone

HCID 67916015
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccc(F)cc3)CC12
InChIKey
PNWXILXLTJBETH-UHFFFAOYSA-N
Molecular formula
C28H26FNO2
Average molar mass
427.5 g/mol
Monoisotopic mass
427.19475723

Names & identifiers

Preferred name
(3aRS,7aRS)-2-[(4-fluorophenyl)acetyl]-7,7-diphenyl-4-perhydroisoindolone
IUPAC
2-[2-(4-fluorophenyl)acetyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one

Names & synonyms

SCHEMBL9730103PNWXILXLTJBETH-UHFFFAOYSA-N(3aRS,7aRS)-2-[(4-fluorophenyl)acetyl]-7,7-diphenyl-4-perhydroisoindolone

Database identifiers

PubChem CID
67916015

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…