Basic information
- Standard SMILES
COc1cc(F)c(/C=C/C(=O)Nc2cnn(Cc3ccc(C(C)=O)o3)c2)cc1F- InChIKey
FTDFIDCIZFZZOA-ZZXKWVIFSA-N- Molecular formula
- C20H17F2N3O4
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.11871236
Names & identifiers
- Preferred name
- (E)-N-[1-(5-Acetyl-furan-2-ylmethyl)-1H-pyrazol-4-yl]-3-(2,5-difluoro-4-methoxy-phenyl)-acrylamide
- IUPAC
- (E)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,5-difluoro-4-methoxyphenyl)prop-2-enamide
Names & synonyms
SCHEMBL1167155FTDFIDCIZFZZOA-ZZXKWVIFSA-N(E)-N-[1-(5-Acetyl-furan-2-ylmethyl)-1H-pyrazol-4-yl]-3-(2,5-difluoro-4-methoxy-phenyl)-acrylamide
Database identifiers
- PubChem CID
- 66929048
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 621
Related reactions
1 records
Compound notes
Loading…