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

HCID 57762557
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Basic information

Standard SMILES
CCN(c1ccc(/C=C/CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)cc1)c1ncccn1
InChIKey
PJWRSHZEYPRYDF-QPJJXVBHSA-N
Molecular formula
C25H24Cl2N4O3
Average molar mass
499.4 g/mol
Monoisotopic mass
498.122546

Names & identifiers

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

Names & synonyms

SCHEMBL1121126PJWRSHZEYPRYDF-QPJJXVBHSA-N(E)-2-(2,6-dichlorobenzamido)-5-[4-(ethyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762557

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
84.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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