Basic information
- Standard SMILES
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)[O-])c2)n1.[Na+]- InChIKey
ZXCRBDKJYZINSZ-UHFFFAOYSA-M- Molecular formula
- C23H22Cl2N3NaO3
- Average molar mass
- 482.3 g/mol
- Monoisotopic mass
- 481.0935912
Names & identifiers
- Preferred name
- Sodium 2-(3-{6-[2-(2,4-dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionate
- IUPAC
- sodium 2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoate
Names & synonyms
SCHEMBL4489706ZXCRBDKJYZINSZ-UHFFFAOYSA-Msodium 2-(3-{6-[2-(2,4-dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionate
Database identifiers
- PubChem CID
- 69063384
Properties
Computed structural properties
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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