4-{3-Oxo-4-[2-(2,4,5-trifluoro-phenoxy)-ethyl]-3,4-dihydro-quinoxalin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

HCID 69366277

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(CCOc3cc(F)c(F)cc3F)c2=O)CC1
InChIKey: LIFRYRUXWOWKGG-UHFFFAOYSA-N
Molecular formula: C25H27F3N4O4
Average molar mass: 504.5 g/mol

Names & identifiers

Preferred name: 4-{3-Oxo-4-[2-(2,4,5-trifluoro-phenoxy)-ethyl]-3,4-dihydro-quinoxalin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 4-[3-oxo-4-[2-(2,4,5-trifluorophenoxy)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL5238291LIFRYRUXWOWKGG-UHFFFAOYSA-N4-{3-Oxo-4-[2-(2,4,5-trifluoro-phenoxy)-ethyl]-3,4-dihydro-quinoxalin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID: 69366277

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 74.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 831

Related reactions

2 records

New reaction record

HRID 688719As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1295705As productuspto-grants-2007_07

Compound notes

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