(E)-2-(2,6-dichlorobenzamido)-5-[4-((2-methoxyethyl)-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

HCID 57762587
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Basic information

Standard SMILES
COCCN(c1ccc(/C=C/CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)cc1)c1ncccn1
InChIKey
MOINTBMQICZVEO-ZZXKWVIFSA-N
Molecular formula
C26H26Cl2N4O4
Average molar mass
529.4 g/mol
Monoisotopic mass
528.1331107

Names & identifiers

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

Names & synonyms

SCHEMBL1121040MOINTBMQICZVEO-ZZXKWVIFSA-N(E)-2-(2,6-dichlorobenzamido)-5-[4-((2-methoxyethyl)-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762587

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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