4-(2-(Cyclohexylcarbonyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate
Basic information
- CAS
868568-77-8- Standard SMILES
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2OC)cc1- InChIKey
SJBCZCRREFNLNI-PCLIKHOPSA-N- Molecular formula
- C24H28N2O5
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.199822
Names & identifiers
- Preferred name
- 4-(2-(Cyclohexylcarbonyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate
- IUPAC
- [4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-ethoxybenzoate
- English name
- 4-(2-(Cyclohexylcarbonyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate
- Molecular formula
- C24H28N2O5
- Molecular weight
- 424.49
Names & synonyms
AKOS0244140094-(2-(CYCLOHEXYLCARBONYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-ETHOXYBENZOATEBenzoic acid, 4-ethoxy-, 4-[[2-(cyclohexylcarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl ester
Database identifiers
- CAS
868568-77-8- PubChem CID
- 9636087
- EC Number
- 136-506-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Density
- 1.196 · 1.196±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.064 · 13.064±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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