2,6-Dimethoxy-4-[(2-naphthyl-5-oxo(1,3-oxazolin-4-ylidene))methyl]phenyl aceta te
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Basic information
- CAS
330440-63-6- Standard SMILES
COc1cc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc(OC)c1OC(C)=O- InChIKey
CURJWUVDFOXMKP-UHFFFAOYSA-N- Molecular formula
- C24H19NO6
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.12123733
Names & identifiers
- Preferred name
- 2,6-Dimethoxy-4-[(2-naphthyl-5-oxo(1,3-oxazolin-4-ylidene))methyl]phenyl aceta te
- IUPAC
- [2,6-dimethoxy-4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
- English name
- 2,6-dimethoxy-4-[(2-(1-naphthyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate
- Molecular formula
- C24H19NO6
- Molecular weight
- 417.41
Names & synonyms
AKOS024353968ST509803022,6-dimethoxy-4-[(2-naphthyl-5-oxo(1,3-oxazolin-4-ylidene))methyl]phenyl aceta te2,6-dimethoxy-4-[(2-(1-naphthyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate5(4H)-Oxazolone, 4-[[4-(acetyloxy)-3,5-dimethoxyphenyl]methylene]-2-(1-naphthalenyl)-(Z)-2,6-dimethoxy-4-((2-(naphthalen-1-yl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl acetate
Database identifiers
- CAS
330440-63-6- PubChem CID
- 3106333
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Boiling point
- 552.8 · 552.8±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -0.17 · -0.17±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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