Basic information
- Standard SMILES
COc1cccc(C=CC(=O)Nc2ccn(Cc3ccc(C(C)(F)F)o3)n2)c1- InChIKey
XJHZJWZVAKASMX-UHFFFAOYSA-N- Molecular formula
- C20H19F2N3O3
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.1394478
Names & identifiers
- Preferred name
- N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
- IUPAC
- N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
Names & synonyms
SCHEMBL1166202XJHZJWZVAKASMX-UHFFFAOYSA-NN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
Database identifiers
- PubChem CID
- 66928293
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
1 records
Compound notes
Loading…