3-(2-(3,4-Dimethoxyphenyl)ethyl)-2-((3-methylphenyl)imino)-4-oxo-5-thiazolidineacetic acid
Basic information
- CAS
67931-66-2- Standard SMILES
COc1ccc(CCN2C(=O)C(CC(=O)O)SC2=Nc2cccc(C)c2)cc1OC- InChIKey
VPCFTRURJQZUIJ-UHFFFAOYSA-N- Molecular formula
- C22H24N2O5S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.14059304
Names & identifiers
- Preferred name
- 3-(2-(3,4-Dimethoxyphenyl)ethyl)-2-((3-methylphenyl)imino)-4-oxo-5-thiazolidineacetic acid
- IUPAC
- 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
3-(2-(3,4-Dimethoxyphenyl)ethyl)-2-((3-methylphenyl)imino)-4-oxo-5-thiazolidineacetic acid5-Thiazolidineacetic acid, 3-(2-(3,4-dimethoxyphenyl)ethyl)-2-((3-methylphenyl)imino)-4-oxo-67931-66-2
Database identifiers
- CAS
67931-66-2- PubChem CID
- 3051815
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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