2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxymethyl-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid

HCID 53323151

Basic information

Standard SMILES
COCc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)O)c2)n1
InChIKey
SBPWDGHALBJDEV-UHFFFAOYSA-N
Molecular formula
C24H25Cl2N3O3
Average molar mass
474.4 g/mol
Monoisotopic mass
473.1272971

Names & identifiers

Preferred name
2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxymethyl-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid
IUPAC
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-(methoxymethyl)pyrimidin-4-yl]phenyl]-2-methylpropanoic acid

Names & synonyms

CHEMBL1644204SCHEMBL4500653SBPWDGHALBJDEV-UHFFFAOYSA-NBDBM504177192-(3-{6-[2-(2,4-dichloro-phenyl)-ethylamino]-2-methoxymethyl-pyrimidin-4-yl}-phenyl)-2-methyl-propionic acid

Database identifiers

PubChem CID
53323151
ChEMBL
CHEMBL1644204

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
84.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

Related reactions

3 records

Compound notes

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