rac-(2R,3aR,6aR)-2-(4-{[(2-Fluorophenyl)methyl]oxy}phenyl)-1,5-bis(phenylmethyl)hexahydropyrrolo[3,4-b]pyrrol-6(1H)-one

HCID 68409482

Notes Reactions

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Basic information

Standard SMILES: O=C1C2C(CC(c3ccc(OCc4ccccc4F)cc3)N2Cc2ccccc2)CN1Cc1ccccc1
InChIKey: IKTZLCMZSADLDJ-UHFFFAOYSA-N
Molecular formula: C33H31FN2O2
Average molar mass: 506.6 g/mol

Names & identifiers

Preferred name: rac-(2R,3aR,6aR)-2-(4-{[(2-Fluorophenyl)methyl]oxy}phenyl)-1,5-bis(phenylmethyl)hexahydropyrrolo[3,4-b]pyrrol-6(1H)-one
IUPAC: 1,5-dibenzyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-3,3a,4,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrol-6-one

Names & synonyms

SCHEMBL2835481IKTZLCMZSADLDJ-UHFFFAOYSA-Nrac-(2R,3aR,6aR)-2-(4-{[(2-Fluorophenyl)methyl]oxy}phenyl)-1,5-bis(phenylmethyl)hexahydropyrrolo[3,4-b]pyrrol-6(1H)-one

Database identifiers

PubChem CID: 68409482

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 758

Related reactions

2 records

New reaction record

HRID 305355As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2264838As productuspto-grants-2010_12

Compound notes

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