2-Propenal, 3-phenyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene) hydrazone
Basic information
- CAS
53068-44-3- Standard SMILES
COc1ccc(CCN2C(=O)CS/C2=N/N=C/C=C/c2ccccc2)cc1OC- InChIKey
GDGLAFLKXKSVSN-UHFFFAOYSA-N- Molecular formula
- C22H23N3O3S
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.14601278
Names & identifiers
- Preferred name
- 2-Propenal, 3-phenyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene) hydrazone
- IUPAC
- (2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
- English name
- 3-Phenylpropenal [3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxothiazolidine-2-ylidene]hydrazone
- Molecular formula
- C22H23N3O3S
- Molecular weight
- 409.5
Names & synonyms
53068-44-3RefChem:10644412-Propenal, 3-phenyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene) hydrazoneBRN 49421722-Propenal, 3-phenyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2- thiazolidinylidene) hydrazone3-Phenylpropenal [3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxothiazolidine-2-ylidene]hydrazone2-Propenal, 3-phenyl-, 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thiazolidinylidene]hydrazone
Database identifiers
- CAS
53068-44-3- PubChem CID
- 9554246
- Nikkaji
- J87.536H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 616
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Related reactions
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Compound notes
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