1-Cyclohexyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione

HCID 24765760

Notes Reactions

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Basic information

Standard SMILES: CC1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIKey: QNUFKFUJXCSNSX-UHFFFAOYSA-N
Molecular formula: C19H15F4N3O5
Average molar mass: 441.3 g/mol

Names & identifiers

Preferred name: 1-Cyclohexyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
IUPAC: 1-cyclohexyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)-1,3-diazinane-2,4,6-trione

Names & synonyms

SCHEMBL825848QNUFKFUJXCSNSX-UHFFFAOYSA-N1-Cyclohexyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Database identifiers

PubChem CID: 24765760

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 104 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 31
Formal charge: 0
Complexity: 833

Related reactions

2 records

New reaction record

HRID 1097276As productuspto-grants-2012_03

HRID 1560961As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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