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
- Formal charge
- 0
- Complexity
- 609
Related reactions
3 records
Compound notes
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