5-(Benzoyloxy)-2-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl benzoate
Basic information
- CAS
880062-69-1- Standard SMILES
O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1- InChIKey
JMHDDXWRFHCPSX-NDZAJKAJSA-N- Molecular formula
- C29H22N2O6
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.14778643
Names & identifiers
- Preferred name
- 5-(Benzoyloxy)-2-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl benzoate
- IUPAC
- [3-benzoyloxy-4-[(E)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
- English name
- 5-(Benzoyloxy)-2-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl benzoate
- Molecular formula
- C29H22N2O6
- Molecular weight
- 494.5
Names & synonyms
AKOS0244102495-(BENZOYLOXY)-2-(2-(PHENOXYACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATEAcetic acid, 2-phenoxy-, 2-[[2,4-bis(benzoyloxy)phenyl]methylene]hydrazide
Database identifiers
- CAS
880062-69-1- PubChem CID
- 9606437
- EC Number
- 128-869-2
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 768
Physicochemical properties
- Density
- 1.219 · 1.219±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.633 · 11.633±0.46(predicted)
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Compound notes
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