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{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-phenoxy}-acetic acid ethyl ester

HCID 53311359
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)COc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIKey
GVDOCRGCAAQQNV-UHFFFAOYSA-N
Molecular formula
C27H25Cl2N3O5
Average molar mass
542.4 g/mol

Names & identifiers

Preferred name
{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-phenoxy}-acetic acid ethyl ester
IUPAC
ethyl 2-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenoxy]acetate

Names & synonyms

SCHEMBL2218053GVDOCRGCAAQQNV-UHFFFAOYSA-N{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-phenoxy}-acetic acid ethyl ester

Database identifiers

PubChem CID
53311359

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
81.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Formal charge
0
Complexity
802

Related reactions

3 records
New reaction record
HRID 292726 reaction equation
HRID 292726As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1025883 reaction equation
HRID 1025883As productuspto-grants-2014_05
HRID 1967037 reaction equation
HRID 1967037As productuspto-grants-2013_04

Compound notes

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