Basic information
- Standard SMILES
C=Cc1cc(F)c([N+](=O)[O-])c2nc(-c3ccc(P(=O)(OCC)OCC)o3)n(CC(C)C)c12- InChIKey
VTFGYDPSDDOVSQ-UHFFFAOYSA-N- Molecular formula
- C21H25FN3O6P
- Average molar mass
- 465.4 g/mol
Names & identifiers
- Preferred name
- 4-Nitro-7-vinyl-5-fluoro-1-isobutyl-2-(2-diethylphosphono-5-furanyl)benzimidazole
- IUPAC
- 2-(5-diethoxyphosphorylfuran-2-yl)-7-ethenyl-5-fluoro-1-(2-methylpropyl)-4-nitrobenzimidazole
Names & synonyms
SCHEMBL4954490VTFGYDPSDDOVSQ-UHFFFAOYSA-N4-nitro-7-vinyl-5-fluoro-1-isobutyl-2-(2-diethylphosphono-5-furanyl)benzimidazole
Database identifiers
- PubChem CID
- 54409667
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 712
Related reactions
6 records
Compound notes
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