Basic information
- Standard SMILES
COc1cccc(C=CC(=O)Nc2ccn(Cc3ccc(C(C)(F)F)o3)n2)c1OC- InChIKey
GBEDBASAEMNNKK-UHFFFAOYSA-N- Molecular formula
- C21H21F2N3O4
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.15001248
Names & identifiers
- Preferred name
- N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
- IUPAC
- N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
Names & synonyms
SCHEMBL1166899GBEDBASAEMNNKK-UHFFFAOYSA-NN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
Database identifiers
- PubChem CID
- 66928852
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Related reactions
1 records
Compound notes
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