Basic information
- CAS
496966-46-2- Standard SMILES
COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl- InChIKey
WBUDXHPGYSGDQR-UHFFFAOYSA-N- Molecular formula
- C24H15Cl3N2O3S
- Average molar mass
- 517.8 g/mol
- Monoisotopic mass
- 515.986897
Names & identifiers
- Preferred name
- 2-[[3-Chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
- IUPAC
- 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
- English name
- 2-{3-chloro-4-[(2,6-dichlorobenzyl)oxy]-5-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
- Molecular formula
- C24H15Cl3N2O3S
- Molecular weight
- 517.81
Names & synonyms
Oprea1_6584002-{3-chloro-4-[(2,6-dichlorobenzyl)oxy]-5-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Database identifiers
- CAS
496966-46-2- PubChem CID
- 4320141
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 748
Physicochemical properties
- Boiling point
- 697.891 · 697.891±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.508 · 1.508±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.088 · 1.088±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…