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

HCID 57762568
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Basic information

Standard SMILES
COC(=O)[C@H](C/C=C/c1ccc(N(c2ncccn2)C(C)C)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIKey
KZSHSJPMXDSLHU-SNXGKTBFSA-N
Molecular formula
C26H26Cl2N4O3
Average molar mass
513.4 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1121238KZSHSJPMXDSLHU-SNXGKTBFSA-N(S,E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762568

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
84.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

8 records
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Compound notes

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