3-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-6,7-dimethoxy-2-methyl-quinazolin-4-one
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Basic information
- CAS
4891-44-5- Standard SMILES
COc1cc2nc(C)n(N=CC3=C(c4ccccc4)Oc4ccccc4C3c3ccccc3)c(=O)c2cc1OC- InChIKey
JHYYKYFSPYDCQN-UHFFFAOYSA-N- Molecular formula
- C33H27N3O4
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.20015635
Names & identifiers
- Preferred name
- 3-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-6,7-dimethoxy-2-methyl-quinazolin-4-one
- IUPAC
- 3-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
- English name
- 2-(2-Ethylhexyl)thiophene
- Molecular formula
- C12H20S
- Molecular weight
- 196.35
Names & synonyms
3-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-6,7-dimethoxy-2-methyl-quinazolin-4-oneDTXSID70964140AKOS0281087693-{[(2,4-Diphenyl-4H-1-benzopyran-3-yl)methylidene]amino}-6,7-dimethoxy-2-methylquinazolin-4(3H)-oneThiophene, 2-(2-ethylhexyl)-DK795EA707TH6-BrDKFELEX02062-(2-Ethylhexyl)thiopheneIN1666, 2-(2-Ethylhexyl)thiophene2-(2-ethylhexyl)tetrahydrothiophene
Database identifiers
- CAS
4891-44-5- PubChem CID
- 5221874
- DTXSID
DTXSID70964140
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 996
Physicochemical properties
- Boiling point
- 255.9 · 255.9±9.0 °C(Predicted)
- Density
- 0.929 · 0.929±0.06 g/cm3(Predicted)
- refractive index
- 1.49 · 1.49
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- CAS DataBase Reference
- 4891 · 4891-44-5
- HS Code
- 2934.99 · 2934.99.4400
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934.99.4400
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
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Compound notes
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