ethyl 4-({[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
Basic information
- CAS
498568-48-2- Standard SMILES
CCOC(=O)c1ccc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1- InChIKey
KFDMZQDERWZMBI-UHFFFAOYSA-N- Molecular formula
- C23H23NO6
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.15253745
Names & identifiers
- Preferred name
- ethyl 4-({[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
- IUPAC
- ethyl 4-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
- English name
- ethyl 4-({[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
- Molecular formula
- C23H23NO6
- Molecular weight
- 409.43
Names & synonyms
ethyl 4-({[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoateSTK543976AKOS005473112ethyl 4-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoateAO-375/41189755ethyl 4-(2-((3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)benzoateBenzoic acid, 4-[[2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]-, ethyl ester
Database identifiers
- CAS
498568-48-2- PubChem CID
- 990004
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 694
Physicochemical properties
- Boiling point
- 646.6 · 646.6±55.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.70(Predicted)
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Compound notes
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