Basic information
- Standard SMILES
CCOC(=O)C(Cl)Cc1c(OC)c(Cl)cc(F)c1-n1c(=O)cc(C(F)(F)F)n(C)c1=O- InChIKey
XWIZUMRISBRHMF-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2F4N2O5
- Average molar mass
- 487.2 g/mol
- Monoisotopic mass
- 486.0372397
Names & identifiers
- Preferred name
- 3-{4-chloro-2-[2-chloro-2-(ethoxycarbonyl)ethyl]-6-fluoro-3-methoxyphenyl}-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione
- IUPAC
- ethyl 2-chloro-3-[3-chloro-5-fluoro-2-methoxy-6-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propanoate
Names & synonyms
3-{4-chloro-2-[2-chloro-2-(ethoxycarbonyl)ethyl]-6-fluoro-3-methoxyphenyl}-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 86585909
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 751
Related reactions
4 records
Compound notes
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