(E)-2-(2,6-dichlorobenzamido)-5-[4-((4,6-dimethoxy-pyrimidin-2-yl)-methyl-amino)phenyl]pent-4-enoic acid methyl ester

HCID 57762597
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Basic information

Standard SMILES
COC(=O)C(C/C=C/c1ccc(N(C)c2nc(OC)cc(OC)n2)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIKey
YEABVYCWWOGVDQ-FNORWQNLSA-N
Molecular formula
C26H26Cl2N4O5
Average molar mass
545.4 g/mol

Names & identifiers

Preferred name
(E)-2-(2,6-dichlorobenzamido)-5-[4-((4,6-dimethoxy-pyrimidin-2-yl)-methyl-amino)phenyl]pent-4-enoic acid methyl ester
IUPAC
methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]phenyl]pent-4-enoate

Names & synonyms

SCHEMBL1121087YEABVYCWWOGVDQ-FNORWQNLSA-N(E)-2-(2,6-dichlorobenzamido)-5-[4-((4,6-dimethoxy-pyrimidin-2-yl)-methyl-amino)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762597

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
37

Related reactions

2 records
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Compound notes

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