Basic information
- Standard SMILES
COc1cc(NC(=O)Cc2cccc(NC(=O)c3c(-c4c(F)cccc4I)noc3C)c2)cc(OC)c1OC- InChIKey
XPSPPDIAGFFLCO-UHFFFAOYSA-N- Molecular formula
- C28H25FIN3O6
- Average molar mass
- 645.4 g/mol
Names & identifiers
- Preferred name
- N-(3,4,5-Trimethoxyphenyl)-3-(5-methyl-3-(2-iodo-6-fluoro-phenyl)isoxazol-4-oyl)aminophenyl Acetamide
- IUPAC
- 3-(2-fluoro-6-iodophenyl)-5-methyl-N-[3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
Names & synonyms
SCHEMBL7226352XPSPPDIAGFFLCO-UHFFFAOYSA-NN-(3,4,5-Trimethoxyphenyl)-3-(5-methyl-3-(2-iodo-6-fluoro-phenyl)isoxazol-4-oyl)aminophenyl Acetamide
Database identifiers
- PubChem CID
- 70026384
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 812
Related reactions
1 records
Compound notes
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