Basic information
- Standard SMILES
CCOC(=O)C(Cc1cnc(Cl)nc1Cl)c1cc(OC)ccc1OC- InChIKey
SWSOUWONGSCLAO-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O4
- Average molar mass
- 385.2 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-Dichloro-pyrimidin-5-yl)-2-(2,5-dimethoxy-phenyl)-propionic acid ethyl ester
- IUPAC
- ethyl 3-(2,4-dichloropyrimidin-5-yl)-2-(2,5-dimethoxyphenyl)propanoate
Names & synonyms
SCHEMBL4764817SWSOUWONGSCLAO-UHFFFAOYSA-N3-(2,4-dichloro-pyrimidin-5-yl)-2-(2,5-dimethoxy-phenyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 21044301
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
3 records
Compound notes
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