4-(2-(4-(Benzyloxy)benzoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
881466-94-0- Standard SMILES
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1OC- InChIKey
AWKNKCAIBCTWDM-ZCTHSVRISA-N- Molecular formula
- C30H26N2O6
- Average molar mass
- 510.5 g/mol
- Monoisotopic mass
- 510.17908655
Names & identifiers
- Preferred name
- 4-(2-(4-(Benzyloxy)benzoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-[(E)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
- English name
- 4-(2-(4-(Benzyloxy)benzoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- Molecular formula
- C30H26N2O6
- Molecular weight
- 510.54
Names & synonyms
AKOS0244094924-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATEBenzoic acid, 3,4-dimethoxy-, 4-[[2-[4-(phenylmethoxy)benzoyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
881466-94-0- PubChem CID
- 9650239
- EC Number
- 127-979-8
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Density
- 1.19 · 1.190±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.271 · 12.271±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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