2-[4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
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Basic information
- CAS
443788-65-6- Standard SMILES
O=C(CSC1=NC(=Cc2ccco2)C(=O)N1c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl- InChIKey
QMEUODQRKVMTDW-UHFFFAOYSA-N- Molecular formula
- C22H14Cl3N3O3S
- Average molar mass
- 506.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
- IUPAC
- 2-[4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
- English name
- 2-{[4-(2-furylmethylene)-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide
- Molecular formula
- C22H14Cl3N3O3S
- Molecular weight
- 506.79
Names & synonyms
2-{[4-(2-furylmethylene)-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide
Database identifiers
- CAS
443788-65-6
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 775
Physicochemical properties
- Density
- 1.508 · 1.508±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.423 · 10.423±0.70(predicted)
Related reactions
0 records
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Compound notes
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