Basic information
- Standard SMILES
CC(C)Cn1nc(-c2ccc(F)cc2F)cc(CN2C(=O)c3ccccc3C2=O)c1=O- InChIKey
IQWNBUASOUVFED-UHFFFAOYSA-N- Molecular formula
- C23H19F2N3O3
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.1394478
Names & identifiers
- Preferred name
- 2-isobutyl-6-(2,4-difluorophenyl)-4-phthalimidomethyl-2H-pyridazin-3-one
- IUPAC
- 2-[[6-(2,4-difluorophenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL1925263IQWNBUASOUVFED-UHFFFAOYSA-N2-isobutyl-6-(2,4-difluorophenyl)-4-phthalimidomethyl-2H-py ridazin-3-one2-isobutyl-6-(2,4-difluorophenyl)-4-phthalimidomethyl-2H-pyridazin-3-one6-(2,4-difluorophenyl)-2-isobutyl-4-phthalimidomethyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991587
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 801
Related reactions
26 records
Compound notes
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