(3aRS,7aRS)-7,7-diphenyl-2-(phenylacetyl)-4-perhydroisoindolone

HCID 67916161
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Basic information

Standard SMILES
O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccccc3)CC12
InChIKey
NHNDPCVTNGEKCV-UHFFFAOYSA-N
Molecular formula
C28H27NO2
Average molar mass
409.5 g/mol
Monoisotopic mass
409.2041791

Names & identifiers

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

Names & synonyms

SCHEMBL9730595NHNDPCVTNGEKCV-UHFFFAOYSA-N(3aRS,7aRS)-7,7-diphenyl-2-(phenylacetyl)-4-perhydroisoindolone

Database identifiers

PubChem CID
67916161

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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