(E)-2-(2,6-dichlorobenzamido)-5-[4-(4,6-dimethylpyrimidin-2-yloxy)phenyl]pent-4-enoic acid methyl ester

HCID 57762504
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Basic information

Standard SMILES
COC(=O)C(C/C=C/c1ccc(Oc2nc(C)cc(C)n2)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIKey
XSQYHWPJMNBWRJ-GQCTYLIASA-N
Molecular formula
C25H23Cl2N3O4
Average molar mass
500.4 g/mol

Names & identifiers

Preferred name
(E)-2-(2,6-dichlorobenzamido)-5-[4-(4,6-dimethylpyrimidin-2-yloxy)phenyl]pent-4-enoic acid methyl ester
IUPAC
methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]pent-4-enoate

Names & synonyms

SCHEMBL1121117XSQYHWPJMNBWRJ-GQCTYLIASA-N(E)-2-(2,6-dichlorobenzamido)-5-[4-(4,6-dimethylpyrimidin-2-yloxy)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762504

Properties

Computed structural properties

XLogP
6
Topological polar surface area
90.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
34

Related reactions

2 records
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Compound notes

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