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2-(3-{(5-ethoxy-2-fluoro-4-methoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-1-yl)benzoic acid

HCID 136366153
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ccccc3C(=O)O)c(=O)[nH]2)c(F)cc1OC
InChIKey
TWWSSEGFXBSRCH-UHFFFAOYSA-N
Molecular formula
C28H25FN6O6
Average molar mass
560.5 g/mol
Monoisotopic mass
560.1819607

Names & identifiers

Preferred name
2-(3-{(5-ethoxy-2-fluoro-4-methoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-1-yl)benzoic acid
IUPAC
2-[3-[(5-ethoxy-2-fluoro-4-methoxyphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]benzoic acid

Names & synonyms

SCHEMBL1618901TWWSSEGFXBSRCH-UHFFFAOYSA-N2-(3-{(5-ethoxy-2-fluoro-4-methoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-1-yl)benzoic acid

Database identifiers

PubChem CID
136366153

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
151 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
41
Formal charge
0
Complexity
951

Related reactions

3 records
New reaction record
HRID 1161482 reaction equation
HRID 1161482As productuspto-grants-2010_10
HRID 1698730 reaction equation
HRID 1698730As productuspto-grants-2012_04
HRID 2079207 reaction equation
HRID 2079207As productuspto-grants-2011_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes