N'-(4-((4-CL-Benzyl)oxy)benzylidene)-2-(5-isopropyl-2-ME-phenoxy)acetohydrazide
Basic information
- CAS
883572-98-3- Standard SMILES
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1- InChIKey
HQKCNLHYFVJTDS-RWPZCVJISA-N- Molecular formula
- C26H27ClN2O3
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.1710204
Names & identifiers
- Preferred name
- N'-(4-((4-CL-Benzyl)oxy)benzylidene)-2-(5-isopropyl-2-ME-phenoxy)acetohydrazide
- IUPAC
- N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
- English name
- N'-(4-((4-Cl-benzyl)oxy)benzylidene)-2-(5-isopropyl-2-Me-phenoxy)acetohydrazide
- Molecular formula
- C26H27ClN2O3
- Molecular weight
- 450.96
Names & synonyms
AKOS024409766N'-(4-((4-CL-BENZYL)OXY)BENZYLIDENE)-2-(5-ISOPROPYL-2-ME-PHENOXY)ACETOHYDRAZIDEAcetic acid, 2-[2-methyl-5-(1-methylethyl)phenoxy]-, 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]hydrazide
Database identifiers
- CAS
883572-98-3- PubChem CID
- 9606722
- EC Number
- 128-318-6
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Density
- 1.151 · 1.151±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.952 · 11.952±0.46(predicted)
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Compound notes
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