4-{4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxaline-1-carbonyl}-benzoic acid methyl ester

HCID 67366608
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Basic information

Standard SMILES
COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc(F)cnc3Oc3cc(Cl)ccc3Cl)c3ccccc32)cc1
InChIKey
BHAIJBBCUPBWGF-UHFFFAOYSA-N
Molecular formula
C29H20Cl2FN3O5
Average molar mass
580.4 g/mol

Names & identifiers

Preferred name
4-{4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxaline-1-carbonyl}-benzoic acid methyl ester
IUPAC
methyl 4-[4-[2-(2,5-dichlorophenoxy)-5-fluoropyridine-3-carbonyl]-2,3-dihydroquinoxaline-1-carbonyl]benzoate

Names & synonyms

SCHEMBL2331431BHAIJBBCUPBWGF-UHFFFAOYSA-N4-{4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxaline-1-carbonyl}-benzoic acid methyl ester

Database identifiers

PubChem CID
67366608

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
89 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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