Benzaldehyde, 2-methyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene)hydrazone
Basic information
- CAS
53068-39-6- Standard SMILES
COc1ccc(CCN2C(=O)CS/C2=N/N=C/c2ccccc2C)cc1OC- InChIKey
VEQDEKQWGMLRPY-OSWVXBLQSA-N- Molecular formula
- C21H23N3O3S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.14601278
Names & identifiers
- Preferred name
- Benzaldehyde, 2-methyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene)hydrazone
- IUPAC
- (2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Names & synonyms
Benzaldehyde, 2-methyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene)hydrazone53068-39-6RefChem:1077829BRN 4942075
Database identifiers
- CAS
53068-39-6- PubChem CID
- 9554244
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 583
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Compound notes
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