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

HCID 57762602
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Basic information

Standard SMILES
COC(=O)C(C/C=C/c1ccc(N(C)c2ncccn2)cc1)NC(=O)c1c(F)cccc1F
InChIKey
LIRPAOVCJCZPFX-ZZXKWVIFSA-N
Molecular formula
C24H22F2N4O3
Average molar mass
452.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1120999LIRPAOVCJCZPFX-ZZXKWVIFSA-N(E)-2-(2,6-difluorobenzamido)-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762602

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
84.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
33

Related reactions

4 records
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Compound notes

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