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[5-[3-[4-Chloro-3-(pyridin-4-ylmethoxy)anilino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate

HCID 67337884
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C=CC(=O)Nc2ccc(Cl)c(OCc3ccncc3)c2)cc1OC(C)=O
InChIKey
SSVHQRPWTSBZCG-UHFFFAOYSA-N
Molecular formula
C24H21ClN2O5
Average molar mass
452.9 g/mol

Names & identifiers

Preferred name
[5-[3-[4-Chloro-3-(pyridin-4-ylmethoxy)anilino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
IUPAC
[5-[3-[4-chloro-3-(pyridin-4-ylmethoxy)anilino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate

Names & synonyms

SCHEMBL2259737

Database identifiers

PubChem CID
67337884

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
86.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Formal charge
0
Complexity
640

Related reactions

1 records
New reaction record
HRID 2315239 reaction equation
HRID 2315239As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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