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2-(3-Fluoro-pyridin-2-yl)-5-{(8-methoxychroman-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2,4-dihydro-[1,2,4]triazol-3-one

HCID 136366328
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Basic information

Standard SMILES
COc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ncccc3F)c(=O)[nH]2)cc2c1OCCC2
InChIKey
QJWKTMHKMZZKJC-UHFFFAOYSA-N
Molecular formula
C27H24FN7O4
Average molar mass
529.5 g/mol
Monoisotopic mass
529.18738043

Names & identifiers

Preferred name
2-(3-Fluoro-pyridin-2-yl)-5-{(8-methoxychroman-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2,4-dihydro-[1,2,4]triazol-3-one
IUPAC
2-(3-fluoro-2-pyridinyl)-5-[(8-methoxy-3,4-dihydro-2H-chromen-6-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-4H-1,2,4-triazol-3-one

Names & synonyms

SCHEMBL1620329QJWKTMHKMZZKJC-UHFFFAOYSA-N2-(3-fluoro-pyridin-2-yl)-5-{(8-methoxychroman-6-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2,4-dihydro-[1,2,4]triazol-3-one

Database identifiers

PubChem CID
136366328

Properties

Computed structural propertiesFilling in

XLogP
4.3
Topological polar surface area
127 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
39
Formal charge
0
Complexity
890

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Related reactions

3 records
New reaction record
HRID 1161428 reaction equation
HRID 1161428As productuspto-grants-2010_10
HRID 1698678 reaction equation
HRID 1698678As productuspto-grants-2012_04
HRID 2079158 reaction equation
HRID 2079158As productuspto-grants-2011_04

Compound notes

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