Basic information
- Standard SMILES
COC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccccc1OC- InChIKey
JSSPHNSXBHHLIE-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2N2O3
- Average molar mass
- 341.2 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-Dichloro-pyrimidin-5-yl)-2-(2-methoxy-phenyl)-propionic acid methyl ester
- IUPAC
- methyl 3-(2,4-dichloropyrimidin-5-yl)-2-(2-methoxyphenyl)propanoate
Names & synonyms
SCHEMBL4764829JSSPHNSXBHHLIE-UHFFFAOYSA-N3-(2,4-dichloro-pyrimidin-5-yl)-2-(2-methoxy-phenyl)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 21044313
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
3 records
Compound notes
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