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2-Butenoic acid, 4-[1-[(3-chloro-4-fluorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-1,2-dihydro-2-oxo-3-pyridinyl]-2-hydroxy-4-oxo-

HCID 165366756
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Basic information

CAS
1338981-42-2
Standard SMILES
O=C(O)C(=O)/C=C(/O)c1cc(Cc2cccc(Cl)c2)cn(Cc2ccc(F)c(Cl)c2)c1=O
InChIKey
LAOWTRROWKDLIU-KEBDBYFISA-N
Molecular formula
C23H16Cl2FNO5
Average molar mass
476.3 g/mol
Monoisotopic mass
475.0389562

Names & identifiers

Preferred name
2-Butenoic acid, 4-[1-[(3-chloro-4-fluorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-1,2-dihydro-2-oxo-3-pyridinyl]-2-hydroxy-4-oxo-
IUPAC
(E)-4-[1-[(3-chloro-4-fluorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-hydroxy-2-oxobut-3-enoic acid

Names & synonyms

DTXSID3011026821338981-42-22-Butenoic acid, 4-[1-[(3-chloro-4-fluorophenyl)methyl]-5-[(3-chlorophenyl)methyl]-1,2-dihydro-2-oxo-3-pyridinyl]-2-hydroxy-4-oxo-

Database identifiers

CAS
1338981-42-2
PubChem CID
165366756
DTXSID
DTXSID301102682

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
94.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
855

Related reactions

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Compound notes

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